2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

C16H24N2O2 — CID 107186436

IUPAC2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
SMILESCC1(C)CCCCC1c1nc2c([nH]1)CC(C(=O)O)CC2
InChIInChI=1S/C16H24N2O2/c1-16(2)8-4-3-5-11(16)14-17-12-7-6-10(15(19)20)9-13(12)18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHXBGNCOENTWGBQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds2

About 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid (PubChem CID 107186436) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
PubChem CID107186436
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
SMILESCC1(C)CCCCC1c1nc2c([nH]1)CC(C(=O)O)CC2
InChIInChI=1S/C16H24N2O2/c1-16(2)8-4-3-5-11(16)14-17-12-7-6-10(15(19)20)9-13(12)18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyHXBGNCOENTWGBQ-UHFFFAOYSA-N
XLogP3.28
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186425
2-(2,2-dimethylcyclopentyl)-6-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186427
2-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066197
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066146
(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)-piperidin-1-ylmethanone
CID 90640304
(6S)-2-methyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxylic acid
CID 136882941
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
2-(2,2-dimethylcyclohexyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 107180182
2-(2-cyclopropyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)acetic acid
CID 83864743
5-(2,2-dimethylcyclohexyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 107180069
N-(4-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640414
4-chloro-2-(2,2-dimethylcyclopentyl)-1H-benzimidazole
CID 107180154

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid (CID 107186436) is 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid is CC1(C)CCCCC1c1nc2c([nH]1)CC(C(=O)O)CC2.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
The InChIKey is HXBGNCOENTWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2)8-4-3-5-11(16)14-17-12-7-6-10(15(19)20)9-13(12)18-14/h10-11H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid?
2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid has a molecular weight of 276.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 107186436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).