22332182 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 7 7 7 7 7 7 7 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 1 1 2 2 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 11 12 13 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 24 25 26 8 10 27 9 11 28 10 12 11 13 14 15 22 38 39 23 40 41 12 16 13 17 14 15 18 19 20 21 22 29 23 30 25 31 26 32 24 33 24 34 25 26 35 36 37 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 2 1 2 1 2 1 2 1 2 1 1 1 1 1 1 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 6.0812 9.2597 6.0812 10.6536 8.1648 2.5369 10.8628 5.135 9.9967 6.6648 9.6648 5.135 10.8628 7.6648 9.1648 4.269 9.9967 4.269 11.7288 8.1648 9.6648 3.403 10.8628 9.1648 3.403 11.7288 6.2738 8.653 4.269 9.4598 4.269 12.2657 7.8548 10.2848 9.4748 2.866 12.2657 2 2.5369 11.3997 10.3258 -1.7537 0.0814 -3.3632 -0.7234 -1.6924 -1.5585 3.2485 -2.0585 0.7485 -2.5585 -0.8264 -3.0585 0.2485 -2.5585 -1.6924 -1.5585 1.7485 -3.5585 0.7485 -3.4245 -2.5585 -2.0585 2.2485 -3.4245 -3.0585 1.7485 -1.1644 0.2092 -0.9385 2.0585 -4.1785 0.4385 -3.9614 -2.5585 -3.9614 -3.3685 2.0585 -1.8685 -0.9385 3.5585 3.5585 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 1 1 2 2 3 3 4 4 5 5 8 8 9 9 12 13 14 15 16 17 18 19 20 21 22 23 8 10 9 11 10 12 11 13 14 15 12 16 13 17 18 19 20 21 22 23 25 26 24 24 25 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 460 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B8000000000000000000000000000000162C000003C608000000000005801FE00001C0010000000080881170031D0B6C99000A0012662640082802DA112A00999203074988868E2C0D9D1942408689002C8C8271080000000008000040000200001000008000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazol-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridinyl]-3H-benzimidazol-5-amine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[6-(6-amino-1<I>H</I>-benzimidazol-2-yl)pyridin-2-yl]-3<I>H</I>-benzimidazol-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[6-(6-amino-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazol-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[6-(6-azanyl-1H-benzimidazol-2-yl)pyridin-2-yl]-3H-benzimidazol-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-[6-(6-amino-1H-benzimidazol-2-yl)-2-pyridyl]-3H-benzimidazol-5-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H15N7/c20-10-4-6-12-16(8-10)25-18(23-12)14-2-1-3-15(22-14)19-24-13-7-5-11(21)9-17(13)26-19/h1-9H,20-21H2,(H,23,25)(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MRLDMASHZJNTTF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.13889351 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H15N7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=NC(=C1)C2=NC3=C(N2)C=C(C=C3)N)C4=NC5=C(N4)C=C(C=C5)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 122 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 341.13889351 26 0 0 0 0 0 0 0 1 -1