5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide

C101H106N18O8S6 — CID 167591567

IUPAC5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccn[nH]1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1csc(C)n1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1nccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccccn4)nc4cc(C(N)=O)ccc43)C2)s1
InChIInChI=1S/C26H28N4O2S2.C25H25N5O2S.C25H27N5O2S.C25H26N4O2S2/c1-4-23(31)17-9-10-22-20(12-17)29-25(21-14-33-16(3)27-21)30(22)19-7-5-6-18(13-19)28-26(32)24-11-8-15(2)34-24;1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19;1-3-22(31)16-8-9-21-20(13-16)28-24(19-11-12-26-29-19)30(21)18-6-4-5-17(14-18)27-25(32)23-10-7-15(2)33-23;1-3-21(30)16-8-9-20-19(13-16)28-23(25-26-11-12-32-25)29(20)18-6-4-5-17(14-18)27-24(31)22-10-7-15(2)33-22/h8-12,14,18-19H,4-7,13H2,1-3H3,(H,28,32);2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32);7-13,17-18H,3-6,14H2,1-2H3,(H,26,29)(H,27,32);7-13,17-18H,3-6,14H2,1-2H3,(H,27,31)
InChIKeyIMVSVFMCVNHEKL-UHFFFAOYSA-N
MW1892.48 g/mol
LogP22.16
Rot. Bonds23

About 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide

5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide (PubChem CID 167591567) has the molecular formula C101H106N18O8S6 and a molecular weight of 1892.48 g/mol. Its IUPAC name is 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
PubChem CID167591567
Molecular FormulaC101H106N18O8S6
Molecular Weight1892.48 g/mol
Exact Mass1890.68
IUPAC Name5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1ccn[nH]1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1csc(C)n1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1nccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccccn4)nc4cc(C(N)=O)ccc43)C2)s1
InChIInChI=1S/C26H28N4O2S2.C25H25N5O2S.C25H27N5O2S.C25H26N4O2S2/c1-4-23(31)17-9-10-22-20(12-17)29-25(21-14-33-16(3)27-21)30(22)19-7-5-6-18(13-19)28-26(32)24-11-8-15(2)34-24;1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19;1-3-22(31)16-8-9-21-20(13-16)28-24(19-11-12-26-29-19)30(21)18-6-4-5-17(14-18)27-25(32)23-10-7-15(2)33-23;1-3-21(30)16-8-9-20-19(13-16)28-23(25-26-11-12-32-25)29(20)18-6-4-5-17(14-18)27-24(31)22-10-7-15(2)33-22/h8-12,14,18-19H,4-7,13H2,1-3H3,(H,28,32);2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32);7-13,17-18H,3-6,14H2,1-2H3,(H,26,29)(H,27,32);7-13,17-18H,3-6,14H2,1-2H3,(H,27,31)
InChIKeyIMVSVFMCVNHEKL-UHFFFAOYSA-N
XLogP22.16
TPSA349.33 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.48
LogP ≤ 522.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-acetylphenyl)sulfanylmethyl]-2-(1H-benzimidazol-2-yl)-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(5-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(1H-benzimidazol-2-yl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1H-pyrazol-3-one;2-(3H-indol-2-yl)-5-(phenylsulfanylmethyl)-1H-pyrazol-3-one
CID 160928139
N-cyclopentyl-5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophene-2-carboxamide
CID 23537778
N-[(1S)-1-[3-(12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaen-4-yl)phenyl]ethyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 69311046
N-[(1S)-1-[3-(12-methyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaen-4-yl)phenyl]ethyl]-2H-benzotriazole-5-carboxamide
CID 69315821
N-[5-[[[6-[4-[5-[[2-[[4-[(3,3-dimethylbutan-2-ylamino)methyl]benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2,3-dimethylbenzoyl]piperazin-1-yl]-3,3-dimethyl-6-oxohexan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(2-methyl-1H-pyrazol-2-ium-4-yl)thiophene-2-carboxamide
CID 123187535
N-[5-[[[6-[4-[5-[[2-[[4-[(3,3-dimethylbutan-2-ylamino)methyl]benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2,3-dimethylbenzoyl]piperazin-1-yl]-3,3-dimethyl-6-oxohexan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 123691273
5-[1-[[3-(4-acetylpiperazine-1-carbonyl)-5-[[2-[[4-[(3,3-dimethylbutan-2-ylamino)methyl]benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2-methylphenyl]methyl]pyrazol-4-yl]-N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 130271749
N-[3-ethyl-5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]-3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]phenyl]benzamide
CID 137053559
6-[3-[[3-[5-[[7-phenyl-2-[2-(propan-2-ylcarbamoyl)-1-benzothiophen-6-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1H-indazol-7-yl]-1H-indazol-5-yl]amino]pyrrolidin-1-yl]-N-propan-2-yl-1H-indole-2-carboxamide
CID 137387421
2-methyl-N-[3-[4-[1-methyl-2-[[1-methyl-5-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propylcarbamoyl]pyrazol-3-yl]methyl]benzimidazol-5-yl]phenyl]propyl]-1,3-thiazole-5-carboxamide
CID 138722021
N-[5-[[3-(4-acetylpiperazine-1-carbonyl)-4,5-dimethylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]-4-[(3,3-dimethylbutan-2-ylamino)methyl]benzamide;N-[6-[(2,2-dimethylpropylamino)methyl]-1H-benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide;propan-2-ol
CID 144846099
N-[5-[[[(2S)-6-[4-[5-[[2-[[4-[(3,3-dimethylbutan-2-ylamino)methyl]benzoyl]amino]-1,3-thiazol-5-yl]sulfanylmethyl]-2,3-dimethylbenzoyl]piperazin-1-yl]-3,3-dimethyl-6-oxohexan-2-yl]amino]methyl]-1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 144857730

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide (CID 167591567) is 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1ccn[nH]1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1csc(C)n1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1nccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccccn4)nc4cc(C(N)=O)ccc43)C2)s1.
What is the InChIKey of 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?
The InChIKey is IMVSVFMCVNHEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S2.C25H25N5O2S.C25H27N5O2S.C25H26N4O2S2/c1-4-23(31)17-9-10-22-20(12-17)29-25(21-14-33-16(3)27-21)30(22)19-7-5-6-18(13-19)28-26(32)24-11-8-15(2)34-24;1-15-8-11-22(33-15)25(32)28-17-5-4-6-18(14-17)30-21-10-9-16(23(26)31)13-20(21)29-24(30)19-7-2-3-12-27-19;1-3-22(31)16-8-9-21-20(13-16)28-24(19-11-12-26-29-19)30(21)18-6-4-5-17(14-18)27-25(32)23-10-7-15(2)33-23;1-3-21(30)16-8-9-20-19(13-16)28-23(25-26-11-12-32-25)29(20)18-6-4-5-17(14-18)27-24(31)22-10-7-15(2)33-22/h8-12,14,18-19H,4-7,13H2,1-3H3,(H,28,32);2-3,7-13,17-18H,4-6,14H2,1H3,(H2,26,31)(H,28,32);7-13,17-18H,3-6,14H2,1-2H3,(H,26,29)(H,27,32);7-13,17-18H,3-6,14H2,1-2H3,(H,27,31).
What are the key properties of 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide?
5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide has a molecular weight of 1892.48 g/mol, XLogP of 22.16, 23 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[2-(2-methyl-1,3-thiazol-4-yl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1H-pyrazol-5-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-[5-propanoyl-2-(1,3-thiazol-2-yl)benzimidazol-1-yl]cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 167591567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).