1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid

C20H22N2O2S — CID 86714429

IUPAC1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cc1cccs1)n2CC1CCCCC1
InChIInChI=1S/C20H22N2O2S/c23-20(24)15-8-9-18-17(11-15)21-19(12-16-7-4-10-25-16)22(18)13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,23,24)
InChIKeyLETSMOIJEVXVRK-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.97
Rot. Bonds5

About 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid

1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 86714429) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID86714429
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(Cc1cccs1)n2CC1CCCCC1
InChIInChI=1S/C20H22N2O2S/c23-20(24)15-8-9-18-17(11-15)21-19(12-16-7-4-10-25-16)22(18)13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,23,24)
InChIKeyLETSMOIJEVXVRK-UHFFFAOYSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(oxan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 63711769
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-[2-(cyclopentanecarbonylamino)ethyl]-1-(cyclopropylmethyl)benzimidazole-5-carboxylic acid
CID 42817396
3-cyclohexyl-2-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid
CID 118427398
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
1-[2-[1-[(1R,2R)-2-methylcyclohexyl]-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 158600777
1-phenyl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 141395939
2-tert-butyl-1-(oxepan-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 142972998
1-[2-tert-butyl-1-(cyclohexylmethyl)benzimidazol-5-yl]ethanone
CID 142973004
4-methyl-2-[[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 118427555
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid (CID 86714429) is 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(Cc1cccs1)n2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is LETSMOIJEVXVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-20(24)15-8-9-18-17(11-15)21-19(12-16-7-4-10-25-16)22(18)13-14-5-2-1-3-6-14/h4,7-11,14H,1-3,5-6,12-13H2,(H,23,24).
What are the key properties of 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid?
1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 354.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 86714429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).