2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid

C16H20N2O2 — CID 63830134

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1(C)CCCC1
InChIInChI=1S/C16H20N2O2/c1-11-17-13-9-12(15(19)20)5-6-14(13)18(11)10-16(2)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyXIJBDQFQQNEJOS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.62
Rot. Bonds3

About 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid

2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid (PubChem CID 63830134) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
PubChem CID63830134
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
SMILESCc1nc2cc(C(=O)O)ccc2n1CC1(C)CCCC1
InChIInChI=1S/C16H20N2O2/c1-11-17-13-9-12(15(19)20)5-6-14(13)18(11)10-16(2)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20)
InChIKeyXIJBDQFQQNEJOS-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
2-ethyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 114101513
2-methyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazole-5-carboxylic acid
CID 79361798
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
2-ethyl-3-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid
CID 82774230
2-methyl-1-(2,2,2-trifluoroethyl)benzimidazole-5-carboxylic acid
CID 43244294
1-(2-cyclohexylethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 63548848
2-methyl-1-prop-2-enylbenzimidazole-5-carboxylic acid
CID 83967706
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106376021
2-ethyl-1-(1-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 64688633
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid (CID 63830134) is 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid is Cc1nc2cc(C(=O)O)ccc2n1CC1(C)CCCC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
The InChIKey is XIJBDQFQQNEJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-17-13-9-12(15(19)20)5-6-14(13)18(11)10-16(2)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid?
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 63830134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).