1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

C107H114N20O9S — CID 167635050

IUPAC1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)c[nH]2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2ccc(C)n2C)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cnc(C)s2)C1
InChIInChI=1S/C28H31N5O2.C27H29N5O2.C26H27N5O3.C26H27N5O2S/c1-4-26(34)19-12-14-24-23(16-19)31-27(22-10-5-6-15-29-22)33(24)21-9-7-8-20(17-21)30-28(35)25-13-11-18(2)32(25)3;1-3-25(33)18-10-11-24-22(14-18)31-26(21-9-4-5-12-28-21)32(24)20-8-6-7-19(15-20)30-27(34)23-13-17(2)16-29-23;1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24;1-3-23(32)17-10-11-22-21(13-17)30-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(14-19)29-26(33)24-15-28-16(2)34-24/h5-6,10-16,20-21H,4,7-9,17H2,1-3H3,(H,30,35);4-5,9-14,16,19-20,29H,3,6-8,15H2,1-2H3,(H,30,34);4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33);4-5,9-13,15,18-19H,3,6-8,14H2,1-2H3,(H,29,33)
InChIKeyOIWGVWUOTWPODG-UHFFFAOYSA-N
MW1856.29 g/mol
LogP20.76
Rot. Bonds24

About 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide

1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (PubChem CID 167635050) has the molecular formula C107H114N20O9S and a molecular weight of 1856.29 g/mol. Its IUPAC name is 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
PubChem CID167635050
Molecular FormulaC107H114N20O9S
Molecular Weight1856.29 g/mol
Exact Mass1854.88
IUPAC Name1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)c[nH]2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2ccc(C)n2C)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cnc(C)s2)C1
InChIInChI=1S/C28H31N5O2.C27H29N5O2.C26H27N5O3.C26H27N5O2S/c1-4-26(34)19-12-14-24-23(16-19)31-27(22-10-5-6-15-29-22)33(24)21-9-7-8-20(17-21)30-28(35)25-13-11-18(2)32(25)3;1-3-25(33)18-10-11-24-22(14-18)31-26(21-9-4-5-12-28-21)32(24)20-8-6-7-19(15-20)30-27(34)23-13-17(2)16-29-23;1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24;1-3-23(32)17-10-11-22-21(13-17)30-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(14-19)29-26(33)24-15-28-16(2)34-24/h5-6,10-16,20-21H,4,7-9,17H2,1-3H3,(H,30,35);4-5,9-14,16,19-20,29H,3,6-8,15H2,1-2H3,(H,30,34);4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33);4-5,9-13,15,18-19H,3,6-8,14H2,1-2H3,(H,29,33)
InChIKeyOIWGVWUOTWPODG-UHFFFAOYSA-N
XLogP20.76
TPSA367.16 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001856.29
LogP ≤ 520.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-[2-[[5-(1,1-difluoroethyl)-2-pyridinyl]amino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 157281815
N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-1,3-thiazole-5-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(4-fluoro-1H-benzimidazol-2-yl)ethyl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3,3-trifluoropropanamide
CID 159029483
N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3-dimethylcyclobutane-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-2-propan-2-ylcyclopropane-1-carboxamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-fluoro-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-1,3-thiazole-5-carboxamide;(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-N-[(1S)-1-(7-fluoro-3H-indol-2-yl)ethyl]-4-oxo-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]butanamide;N-[(3S,6R)-1-[(2S)-2-ethylpiperidin-1-yl]-6-(4-methyl-1H-benzimidazol-2-yl)-1,4-dioxoheptan-3-yl]-3,3,3-trifluoropropanamide
CID 159174835
2-(1-aminocyclopropyl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;5-[(1R)-1-aminoethyl]-N-[2-amino-6-(1-methylcyclopropyl)-3-pyridinyl]-1,2-oxazole-3-carboxamide;5-[(1R)-1-aminoethyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;5-[(1S)-1-aminoethyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;5-(1-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;5-(1-aminoethyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;5-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;2-(2-aminopropan-2-yl)-N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-5-carboxamide;(1S)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-3-yl]ethanamine;(1R)-1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-3-yl]ethanamine;[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-oxazol-3-yl]methanamine
CID 160032571
CID 160221409
CID 160221409
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4,6-dimethyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyridine-3-carboxamide;N-[2-[4-(1,1-difluoroethyl)-2-nitroanilino]ethyl]-4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]pyrimidine-5-carboxamide;N-ethyl-2-[4-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 161137349
5-[7-fluoro-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-3-methyl-1,2,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-2-methyl-1,3-thiazole;3-[(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-5-methyl-1,2-oxazole;methyl 4-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]piperidine-1-carboxylate
CID 157398018
CID 158225620
CID 158225620
2-(1H-benzimidazol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-[(2S)-2-methylpyrrolidin-1-yl]quinoxaline-6-carboxylic acid;2-(3H-benzimidazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1,3-benzothiazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1H-imidazol-2-yl)-3-[methyl(propan-2-yl)amino]quinoxaline-6-carboxylic acid;2-(1H-imidazol-2-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid;2-(1,2-oxazol-5-yl)-3-piperidin-1-ylquinoxaline-6-carboxylic acid
CID 158440052
(3Z)-1-benzyl-3-[(E)-3-(4-nitrophenyl)prop-2-enylidene]indol-2-one;ethane;3-(1H-indol-3-ylmethyl)-1-[2-(3-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)heptan-1-one;2-[(E)-2-(2-methyl-4-pyridinyl)ethenyl]quinoline;5-(2-methyl-4-pyridinyl)-3-quinolin-2-yl-1,2,4-oxadiazole;3-[(E)-2-phenylethenyl]-5-(1,3-thiazol-2-yl)-1,2-oxazole
CID 160330565
N-[(3S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;bis(N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide);N-[(3S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxohexan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 162187022
N-[(2S)-1-(1H-benzimidazol-2-ylmethylamino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl]-4-methylpentanamide;N-[(3S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6S)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-4-methylpentanamide;N-[(3S,6R)-6-(1H-benzimidazol-2-yl)-1-[(2S)-2-methylpyrrolidin-1-yl]-1,4-dioxoheptan-3-yl]-4,4-dimethylpentanamide;N-[(3S,6R)-6-(4-fluoro-1H-benzimidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 164096263

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide (CID 167635050) is 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)c[nH]2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cc(C)no2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2ccc(C)n2C)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCC(NC(=O)c2cnc(C)s2)C1.
What is the InChIKey of 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OIWGVWUOTWPODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2.C27H29N5O2.C26H27N5O3.C26H27N5O2S/c1-4-26(34)19-12-14-24-23(16-19)31-27(22-10-5-6-15-29-22)33(24)21-9-7-8-20(17-21)30-28(35)25-13-11-18(2)32(25)3;1-3-25(33)18-10-11-24-22(14-18)31-26(21-9-4-5-12-28-21)32(24)20-8-6-7-19(15-20)30-27(34)23-13-17(2)16-29-23;1-3-23(32)17-10-11-22-21(14-17)29-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(15-19)28-26(33)24-13-16(2)30-34-24;1-3-23(32)17-10-11-22-21(13-17)30-25(20-9-4-5-12-27-20)31(22)19-8-6-7-18(14-19)29-26(33)24-15-28-16(2)34-24/h5-6,10-16,20-21H,4,7-9,17H2,1-3H3,(H,30,35);4-5,9-14,16,19-20,29H,3,6-8,15H2,1-2H3,(H,30,34);4-5,9-14,18-19H,3,6-8,15H2,1-2H3,(H,28,33);4-5,9-13,15,18-19H,3,6-8,14H2,1-2H3,(H,29,33).
What are the key properties of 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide?
1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide has a molecular weight of 1856.29 g/mol, XLogP of 20.76, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]pyrrole-2-carboxamide;3-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide;4-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1H-pyrrole-2-carboxamide;2-methyl-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167635050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).