3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid

C17H22N2O2 — CID 115932845

IUPAC3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-7-15-18-14-11-6-10-13(17(20)21)16(14)19(15)12-8-4-3-5-9-12/h6,10-12H,2-5,7-9H2,1H3,(H,20,21)
InChIKeyCLNYKOYXSBJJDV-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.19
Rot. Bonds4

About 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid

3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 115932845) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
PubChem CID115932845
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-7-15-18-14-11-6-10-13(17(20)21)16(14)19(15)12-8-4-3-5-9-12/h6,10-12H,2-5,7-9H2,1H3,(H,20,21)
InChIKeyCLNYKOYXSBJJDV-UHFFFAOYSA-N
XLogP4.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
CID 112577260
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113485834
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
3-cycloheptylbenzotriazole-4-carboxylic acid
CID 112576616
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
3-(1-hydroxy-3-methoxypropan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 106188849
3-(oxan-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933375
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid (CID 115932845) is 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2cccc(C(=O)O)c2n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is CLNYKOYXSBJJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-7-15-18-14-11-6-10-13(17(20)21)16(14)19(15)12-8-4-3-5-9-12/h6,10-12H,2-5,7-9H2,1H3,(H,20,21).
What are the key properties of 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid?
3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 115932845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).