5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide

C102H104N16O8S6 — CID 167572389

IUPAC5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1cccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccsc1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4cccnc4)nc4cc(C(N)=O)ccc43)C2)s1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccncc4)nc4cc(C(N)=O)ccc43)C2)s1
InChIInChI=1S/2C26H27N3O2S2.2C25H25N5O2S/c1-3-22(30)17-10-11-21-20(14-17)28-25(23-8-5-13-32-23)29(21)19-7-4-6-18(15-19)27-26(31)24-12-9-16(2)33-24;1-3-23(30)17-8-9-22-21(13-17)28-25(18-11-12-32-15-18)29(22)20-6-4-5-19(14-20)27-26(31)24-10-7-16(2)33-24;1-15-7-10-22(33-15)25(32)28-18-5-2-6-19(13-18)30-21-9-8-16(23(26)31)12-20(21)29-24(30)17-4-3-11-27-14-17;1-15-5-8-22(33-15)25(32)28-18-3-2-4-19(14-18)30-21-7-6-17(23(26)31)13-20(21)29-24(30)16-9-11-27-12-10-16/h5,8-14,18-19H,3-4,6-7,15H2,1-2H3,(H,27,31);7-13,15,19-20H,3-6,14H2,1-2H3,(H,27,31);3-4,7-12,14,18-19H,2,5-6,13H2,1H3,(H2,26,31)(H,28,32);5-13,18-19H,2-4,14H2,1H3,(H2,26,31)(H,28,32)
InChIKeyGBPAODWAZWPRSA-UHFFFAOYSA-N
MW1874.46 g/mol
LogP22.24
Rot. Bonds22

About 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide

5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide (PubChem CID 167572389) has the molecular formula C102H104N16O8S6 and a molecular weight of 1874.46 g/mol. Its IUPAC name is 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide
PubChem CID167572389
Molecular FormulaC102H104N16O8S6
Molecular Weight1874.46 g/mol
Exact Mass1872.65
IUPAC Name5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide
SMILESCCC(=O)c1ccc2c(c1)nc(-c1cccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccsc1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4cccnc4)nc4cc(C(N)=O)ccc43)C2)s1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccncc4)nc4cc(C(N)=O)ccc43)C2)s1
InChIInChI=1S/2C26H27N3O2S2.2C25H25N5O2S/c1-3-22(30)17-10-11-21-20(14-17)28-25(23-8-5-13-32-23)29(21)19-7-4-6-18(15-19)27-26(31)24-12-9-16(2)33-24;1-3-23(30)17-8-9-22-21(13-17)28-25(18-11-12-32-15-18)29(22)20-6-4-5-19(14-20)27-26(31)24-10-7-16(2)33-24;1-15-7-10-22(33-15)25(32)28-18-5-2-6-19(13-18)30-21-9-8-16(23(26)31)12-20(21)29-24(30)17-4-3-11-27-14-17;1-15-5-8-22(33-15)25(32)28-18-3-2-4-19(14-18)30-21-7-6-17(23(26)31)13-20(21)29-24(30)16-9-11-27-12-10-16/h5,8-14,18-19H,3-4,6-7,15H2,1-2H3,(H,27,31);7-13,15,19-20H,3-6,14H2,1-2H3,(H,27,31);3-4,7-12,14,18-19H,2,5-6,13H2,1H3,(H2,26,31)(H,28,32);5-13,18-19H,2-4,14H2,1H3,(H2,26,31)(H,28,32)
InChIKeyGBPAODWAZWPRSA-UHFFFAOYSA-N
XLogP22.24
TPSA333.78 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001874.46
LogP ≤ 522.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

Bcat-IN-1
CID 118988431
1-[(1R,3S)-3-[(5-cyanothiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044545
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N-propan-2-yl-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044553
1-[(1R,3S)-3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044547
5-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-pyridin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 127051279
1-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylbenzimidazole-5-carboxamide
CID 127044725
7-[(cyclobutylcarbonyl)amino]-1-methyl-2-(4-pyridinyl)-N-[2-(2-thienyl)ethyl]-1H-benzimidazole-5-carboxamide
CID 28333592
N-[(2S)-1-[5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 118438613
N-(2-aminophenyl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 123645591
N-[2-[5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123793932
N-[(2S)-1-[5-(3-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 126515355
N-[(2S)-4-methyl-1-oxo-1-[5-[[4-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 157247874

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide (CID 167572389) is 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide is CCC(=O)c1ccc2c(c1)nc(-c1cccs1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.CCC(=O)c1ccc2c(c1)nc(-c1ccsc1)n2C1CCCC(NC(=O)c2ccc(C)s2)C1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4cccnc4)nc4cc(C(N)=O)ccc43)C2)s1.Cc1ccc(C(=O)NC2CCCC(n3c(-c4ccncc4)nc4cc(C(N)=O)ccc43)C2)s1.
What is the InChIKey of 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is GBPAODWAZWPRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H27N3O2S2.2C25H25N5O2S/c1-3-22(30)17-10-11-21-20(14-17)28-25(23-8-5-13-32-23)29(21)19-7-4-6-18(15-19)27-26(31)24-12-9-16(2)33-24;1-3-23(30)17-8-9-22-21(13-17)28-25(18-11-12-32-15-18)29(22)20-6-4-5-19(14-20)27-26(31)24-10-7-16(2)33-24;1-15-7-10-22(33-15)25(32)28-18-5-2-6-19(13-18)30-21-9-8-16(23(26)31)12-20(21)29-24(30)17-4-3-11-27-14-17;1-15-5-8-22(33-15)25(32)28-18-3-2-4-19(14-18)30-21-7-6-17(23(26)31)13-20(21)29-24(30)16-9-11-27-12-10-16/h5,8-14,18-19H,3-4,6-7,15H2,1-2H3,(H,27,31);7-13,15,19-20H,3-6,14H2,1-2H3,(H,27,31);3-4,7-12,14,18-19H,2,5-6,13H2,1H3,(H2,26,31)(H,28,32);5-13,18-19H,2-4,14H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide?
5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 1874.46 g/mol, XLogP of 22.24, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 167572389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).