[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one

C119H110Cl5FN20O10 — CID 165068582

IUPAC[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
SMILESCC1(F)CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1.CN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(Nc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C20H14ClN3O.C19H17ClFN3O.C18H16ClN3O2.C18H16ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;21-15-5-4-8-17(12-15)24-13-22-18-11-14(9-10-19(18)24)20(25)23-16-6-2-1-3-7-16;1-19(21)7-8-23(11-19)18(25)13-5-6-17-16(9-13)22-12-24(17)15-4-2-3-14(20)10-15;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-13H,(H,23,25);2-6,9-10,12H,7-8,11H2,1H3;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3
InChIKeySJJKXEOZAZRKRL-UHFFFAOYSA-N
MW2176.58 g/mol
LogP22.75
Rot. Bonds19

About [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one

[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one (PubChem CID 165068582) has the molecular formula C119H110Cl5FN20O10 and a molecular weight of 2176.58 g/mol. Its IUPAC name is [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one.

Molecular Properties

Compound Name[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
PubChem CID165068582
Molecular FormulaC119H110Cl5FN20O10
Molecular Weight2176.58 g/mol
Exact Mass2172.71
IUPAC Name[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
SMILESCC1(F)CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1.CN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(Nc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1
InChIInChI=1S/C23H26N4O3.C21H21ClN4O2.C20H14ClN3O.C19H17ClFN3O.C18H16ClN3O2.C18H16ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;21-15-5-4-8-17(12-15)24-13-22-18-11-14(9-10-19(18)24)20(25)23-16-6-2-1-3-7-16;1-19(21)7-8-23(11-19)18(25)13-5-6-17-16(9-13)22-12-24(17)15-4-2-3-14(20)10-15;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-13H,(H,23,25);2-6,9-10,12H,7-8,11H2,1H3;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3
InChIKeySJJKXEOZAZRKRL-UHFFFAOYSA-N
XLogP22.75
TPSA340.08 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002176.58
LogP ≤ 522.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one with MolForge

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Related Compounds

N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 157481764
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(4-methyl-3-pyridinyl)pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 157494562
3-amino-6-bromo-N-[(5-chloro-3-ethyl-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[(3-ethyl-5-fluoro-1-methylbenzimidazol-1-ium-2-yl)methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethoxy)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;3-amino-6-bromo-N-[[3-ethyl-1-methyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]methyl]pyrazine-2-carboxamide;2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylic acid;carbanide;methyl 2-[[(3-amino-6-bromopyrazine-2-carbonyl)amino]methyl]-1,3-diethylbenzimidazol-1-ium-5-carboxylate
CID 161241686
N-[4-[chloro(difluoro)methoxy]phenyl]-5-(2-chloro-5-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-fluoro-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(4-methyl-3-pyridinyl)-6-[(3R)-3-methylpyrrolidin-1-yl]pyridine-3-carboxamide;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-6-(3-hydroxypyrrolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-(3-methylpyrrolidin-1-yl)-5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-methylpyrrolidin-1-yl]-5-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 161507898
[1-(3-chlorophenyl)benzimidazol-5-yl]-(3,3-difluoropyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one
CID 164961556
N-(2-adamantyl)-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-fluorophenyl)-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-methoxyphenyl)-2-[4-(pyridin-3-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 157291344
[6-amino-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;2-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carboxamide;1-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-one;2-(4-fluorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxamide;3-(hydroxymethyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 157865653
N-[4-[chloro(difluoro)methoxy]phenyl]-2,3-dimethyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-1-[(2R)-1-hydroxypropan-2-yl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(1-fluoroethyl)-3-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-(3-methylcyclobutyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide
CID 158353009
bis(2-chloro-4-[2-methoxy-3-(3-tritylimidazol-4-yl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one);2,4-dichloro-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-fluoro-4-methylpyridin-2-amine;2-[(5-fluoro-4-methyl-2-pyridinyl)methyl]-4-[2-methoxy-3-(3-tritylimidazol-4-yl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-3-(3-tritylimidazol-4-yl)aniline
CID 158611316
N-[4-[chloro(difluoro)methoxy]phenyl]-7-(4-cyclopropylimidazol-1-yl)-1-propan-2-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1,2-dimethyl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-methoxy-1-propan-2-yl-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-methyl-2-propan-2-yl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-9-pyrimidin-5-yl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole-7-carboxamide
CID 159211082
N-[4-[chloro(difluoro)methoxy]phenyl]-1-cyclopropyl-2-(1-fluoroethyl)-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;6-N-[4-[chloro(difluoro)methoxy]phenyl]-4-N-cyclopropyl-3-propan-2-ylbenzimidazole-4,6-dicarboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-1-[(1-hydroxycyclopropyl)methyl]-7-pyrimidin-5-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-2-(2-hydroxyethyl)-1-methyl-7-pyridin-3-ylbenzimidazole-5-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-7-imidazol-1-yl-1-propan-2-ylbenzimidazole-5-carboxamide
CID 159359007
1-[5-(3-chloroanilino)benzo[c][2,6]naphthyridin-8-yl]butan-1-one;2-(5-chloro-7H-cyclopenta[d]pyrimidin-4-yl)-8-ethyl-2,8-diazaspiro[4.5]decane;2-chloro-N-ethyl-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzamide;6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;4-[2-(4-ethylphenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine;4-(8-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)-5-(1-methylindol-3-yl)cyclopent-4-ene-1,3-dione
CID 159697401

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one?
The IUPAC name of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one (CID 165068582) is [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one.
What is the SMILES notation for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one?
The canonical SMILES for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one is CC1(F)CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(Cl)c2)C1.CN(C(=O)c1ccc2c(c1)ncn2-c1cccc(Cl)c1)C1CC1.COc1ccc(-n2c(CC(C)=O)nc3cc(C(=O)N4CCC(C)CC4)cnc32)cc1.NC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.O=C(Nc1ccccc1)c1ccc2c(c1)ncn2-c1cccc(Cl)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCC(O)C1.
What is the InChIKey of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one?
The InChIKey is SJJKXEOZAZRKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.C21H21ClN4O2.C20H14ClN3O.C19H17ClFN3O.C18H16ClN3O2.C18H16ClN3O/c1-15-8-10-26(11-9-15)23(29)17-13-20-22(24-14-17)27(21(25-20)12-16(2)28)18-4-6-19(30-3)7-5-18;22-15-5-4-6-16(12-15)26-18-8-7-14(21(28)25-9-2-1-3-10-25)11-17(18)24-20(26)13-19(23)27;21-15-5-4-8-17(12-15)24-13-22-18-11-14(9-10-19(18)24)20(25)23-16-6-2-1-3-7-16;1-19(21)7-8-23(11-19)18(25)13-5-6-17-16(9-13)22-12-24(17)15-4-2-3-14(20)10-15;19-13-2-1-3-14(9-13)22-11-20-16-8-12(4-5-17(16)22)18(24)21-7-6-15(23)10-21;1-21(14-6-7-14)18(23)12-5-8-17-16(9-12)20-11-22(17)15-4-2-3-13(19)10-15/h4-7,13-15H,8-12H2,1-3H3;4-8,11-12H,1-3,9-10,13H2,(H2,23,27);1-13H,(H,23,25);2-6,9-10,12H,7-8,11H2,1H3;1-5,8-9,11,15,23H,6-7,10H2;2-5,8-11,14H,6-7H2,1H3.
What are the key properties of [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one?
[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one has a molecular weight of 2176.58 g/mol, XLogP of 22.75, 19 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)benzimidazol-5-yl]-(3-fluoro-3-methylpyrrolidin-1-yl)methanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone;1-(3-chlorophenyl)-N-cyclopropyl-N-methylbenzimidazole-5-carboxamide;1-(3-chlorophenyl)-N-phenylbenzimidazole-5-carboxamide;2-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]acetamide;1-[3-(4-methoxyphenyl)-6-(4-methylpiperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]propan-2-one is sourced from PubChem (CID 165068582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).