16084439 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 -1 7 1 1 2 3 4 4 4 5 5 6 6 6 7 8 9 9 10 10 11 12 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 23 24 24 25 25 26 26 27 28 28 29 30 30 31 22 7 7 8 9 32 8 11 15 22 39 23 10 11 16 17 18 19 13 14 25 22 24 26 28 20 21 23 33 20 34 21 35 27 36 37 38 27 29 40 30 41 29 42 43 31 44 45 31 46 47 2 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 5.732 3.5 2 3.1953 4.8047 4 3 4 3.5 4 4.5 5.732 4.866 5.732 4 3 3.134 4.866 5 3.134 4.866 4.866 3.5 4 6.626 4.866 4.5 6.626 4 7.5321 7.5321 2.606 2.38 2.597 5.403 5.62 2.597 5.403 3.4631 3.4631 6.6188 4.866 4.81 6.6188 3.4631 8.0678 8.0678 2.7296 -6.2643 -5.3983 -1.854 -1.854 2.7296 -5.3983 -1.2704 -2.8002 -0.2704 -2.8002 4.7296 4.2296 5.7296 1.7296 -3.6662 0.2296 0.2296 -3.6662 1.2296 1.2296 3.2296 -4.5322 4.7296 4.195 6.2296 -4.5322 6.2643 5.7296 4.7088 5.7504 -1.6614 -3.6662 -0.0804 -0.0804 -3.6662 1.5396 1.5396 3.0396 4.4196 3.575 6.8496 -5.0692 6.8842 6.0396 4.3968 6.0625 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 9 9 10 10 11 12 12 12 13 14 14 15 15 16 17 18 19 23 24 25 26 28 30 8 9 8 11 11 16 17 18 19 13 14 25 24 26 28 20 21 23 20 21 27 27 29 30 29 31 31 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 660 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000001600000003060C1800000000058C1F400001E00140000000C08819F0031D0F6D9D000A9032772770082802DA512A02999213074DA8868B2C0DDD1942508689402C8C9A71888C08E88008200041000201001040008200040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]-1-naphthalenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[4-(6-nitro-1<I>H</I>-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]naphthalene-1-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[4-(6-nitro-1H-benzimidazol-2-yl)phenyl]-1-naphthamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H16N4O3/c29-24(20-7-3-5-15-4-1-2-6-19(15)20)25-17-10-8-16(9-11-17)23-26-21-13-12-18(28(30)31)14-22(21)27-23/h1-14H,(H,25,29)(H,26,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GWCLHVKFPSOEGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.12224039 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H16N4O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 104 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 408.12224039 31 0 0 0 0 0 0 0 1 -1