2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid

C15H18N2O3 — CID 115543363

IUPAC2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCC1CCCO1
InChIInChI=1S/C15H18N2O3/c1-10-16-14-12(15(18)19)5-2-6-13(14)17(10)8-7-11-4-3-9-20-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyCFBHIHFEEQZBDO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid

2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid (PubChem CID 115543363) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
PubChem CID115543363
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cccc2n1CCC1CCCO1
InChIInChI=1S/C15H18N2O3/c1-10-16-14-12(15(18)19)5-2-6-13(14)17(10)8-7-11-4-3-9-20-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,18,19)
InChIKeyCFBHIHFEEQZBDO-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
2-methyl-1-[(2-methylcyclopentyl)methyl]benzimidazole-4-carboxylic acid
CID 107420058
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole-4-carboxylic acid
CID 115543164
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
2-methyl-3-[2-(oxolan-2-yl)ethylsulfonyl]benzoic acid
CID 81444904
1-(3-ethoxypropyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332181
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
1-[(1,1-dioxothiolan-2-yl)methyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115543950
2-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole-4-carboxylic acid
CID 114101514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid (CID 115543363) is 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)O)cccc2n1CCC1CCCO1.
What is the InChIKey of 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid?
The InChIKey is CFBHIHFEEQZBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-16-14-12(15(18)19)5-2-6-13(14)17(10)8-7-11-4-3-9-20-11/h2,5-6,11H,3-4,7-9H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid?
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115543363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).