2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid

C17H22N2O2 — CID 82774358

IUPAC2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1C
InChIInChI=1S/C17H22N2O2/c1-11-5-3-4-6-14(11)10-19-12(2)18-15-8-7-13(17(20)21)9-16(15)19/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,21)
InChIKeyOCZJCFZAOMINRS-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.87
Rot. Bonds3

About 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid

2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 82774358) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID82774358
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1C
InChIInChI=1S/C17H22N2O2/c1-11-5-3-4-6-14(11)10-19-12(2)18-15-8-7-13(17(20)21)9-16(15)19/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,21)
InChIKeyOCZJCFZAOMINRS-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 113464060
2-methyl-3-(thian-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791173
3-(3-cyclopentylpropyl)-2-methylbenzimidazole-5-carboxylic acid
CID 106003502
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
2-methyl-3-(oxolan-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791400
2-methyl-3-pentylbenzimidazole-5-carboxylic acid
CID 82791290
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
3-(cyclohexylmethyl)-2-ethylbenzimidazole-5-carboxylic acid
CID 82770294
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
2-methyl-3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82774842
3-[3-(dimethylamino)propyl]-2-methylbenzimidazole-5-carboxylic acid
CID 82790905
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid (CID 82774358) is 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2n1CC1CCCCC1C.
What is the InChIKey of 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is OCZJCFZAOMINRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-5-3-4-6-14(11)10-19-12(2)18-15-8-7-13(17(20)21)9-16(15)19/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid?
2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylcyclohexyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82774358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).