2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride

C15H19ClN2O3 — CID 67628460

IUPAC2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)c2nc(C3CCCC3)n(C)c12.Cl
InChIInChI=1S/C15H18N2O3.ClH/c1-17-13-11(20-2)8-7-10(15(18)19)12(13)16-14(17)9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3,(H,18,19);1H
InChIKeyKSSOYVUFRJRRIX-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.36
Rot. Bonds3

About 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride

2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride (PubChem CID 67628460) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride
PubChem CID67628460
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride
SMILESCOc1ccc(C(=O)O)c2nc(C3CCCC3)n(C)c12.Cl
InChIInChI=1S/C15H18N2O3.ClH/c1-17-13-11(20-2)8-7-10(15(18)19)12(13)16-14(17)9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3,(H,18,19);1H
InChIKeyKSSOYVUFRJRRIX-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide
CID 139836050
7-methoxy-1-methyl-2-(thiophen-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 67414964
2-[cyclohexyl(phenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 67638650
4-cyclopentyl-2-methyl-5-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115021
5-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117484183
5-(3-bromo-4-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62218652
2-cyclopentyl-3-methylimidazole-4-carboxylic acid
CID 82375323
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
2-[2-cyclopentyloxy-3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxypropyl]-4-methoxyindazole-7-carboxylic acid
CID 167035816
4-methoxy-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-7-carboxylic acid
CID 18357003
2-cyclopropyl-1-(dimethylamino)benzimidazole-4-carboxylic acid
CID 83019782

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride (CID 67628460) is 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride is COc1ccc(C(=O)O)c2nc(C3CCCC3)n(C)c12.Cl.
What is the InChIKey of 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is KSSOYVUFRJRRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.ClH/c1-17-13-11(20-2)8-7-10(15(18)19)12(13)16-14(17)9-5-3-4-6-9;/h7-9H,3-6H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride?
2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67628460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).