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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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).