53299493 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 48 49 50 7 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 20 21 21 22 22 23 24 24 24 10 12 13 11 12 4 5 8 25 6 26 27 7 28 29 9 30 31 9 32 33 10 34 35 36 37 11 14 15 16 38 18 19 17 39 17 20 40 21 41 22 42 43 44 45 23 46 23 47 24 48 49 50 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 2 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 42 43 44 45 46 47 48 49 50 4.5981 5.5443 5.1871 5.4978 4.2086 4.8299 3.5408 5.855 3.8514 5.5443 6.1279 4.5981 3.732 7.1279 3.732 2.866 2.866 7.6279 7.6279 2 8.6279 8.6279 9.1279 10.1279 4.9945 6.0447 5.8803 3.6822 4.4399 5.3563 4.5987 2.9938 3.1582 6.4019 6.2375 3.8309 3.2376 3.732 3.732 2.3291 7.3179 7.3179 2.31 1.4631 1.69 8.9379 8.9379 10.1279 10.7479 10.1279 -1.0972 -2.4019 0.9024 1.8529 0.6961 2.5972 1.4404 0.1581 2.391 -0.7925 -1.5972 -2.0972 -0.5972 -1.5972 -2.5972 -1.0972 -2.0972 -2.4632 -0.7312 -0.5972 -2.4632 -0.7312 -1.5972 -1.5972 0.313 1.5609 2.3408 0.3685 0.1209 2.9248 3.1724 1.7325 0.9525 -0.134 0.646 3.0106 2.4783 0.0228 -3.2172 -2.4072 -3.0002 -0.1942 -0.0603 -0.2872 -1.1341 -3.0002 -0.1942 -2.2172 -1.5972 -0.9772 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 10 12 13 14 14 15 16 18 19 21 22 10 12 13 11 12 11 15 16 18 19 17 17 21 22 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 395 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B00000000000000000000000000000001600000003C608000000000005801F000001C00000000000D08C11F043FB09F0C1800A0033667640082802D3112A009D8203874988868E2C09991942008688002C8C8271080C00E40000000000000008000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(cyclohexylmethyl)-6-methyl-2-(p-tolyl)imidazo[1,2-a]pyridine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H26N2/c1-16-8-11-19(12-9-16)22-20(14-18-6-4-3-5-7-18)24-15-17(2)10-13-21(24)23-22/h8-13,15,18H,3-7,14H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UMKGXNMKKSTXFK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 6.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.209598838 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H26N2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC4CCCCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 17.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.209598838 24 0 0 0 0 0 0 0 1 -1