2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid

C15H16N2O4 — CID 115933092

IUPAC2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
SMILESCOC(=O)C(C)n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N2O4/c1-8(15(20)21-2)17-12-10(14(18)19)4-3-5-11(12)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyMAJZVDFGFNGMEM-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.35
Rot. Bonds4

About 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid

2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115933092) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115933092
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
SMILESCOC(=O)C(C)n1c(C2CC2)nc2cccc(C(=O)O)c21
InChIInChI=1S/C15H16N2O4/c1-8(15(20)21-2)17-12-10(14(18)19)4-3-5-11(12)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,18,19)
InChIKeyMAJZVDFGFNGMEM-UHFFFAOYSA-N
XLogP2.35
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)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

2-ethyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933093
2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933617
2-cyclopropyl-3-(2,2-dimethylcyclopropyl)benzimidazole-4-carboxylic acid
CID 115933226
3-(1-methoxy-1-oxopropan-2-yl)benzotriazole-4-carboxylic acid
CID 112576662
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
2-methyl-3-[1-(methylamino)-1-oxopropan-2-yl]benzimidazole-4-carboxylic acid
CID 112577197
2-cyclopropyl-3-(thiolan-2-ylmethyl)benzimidazole-4-carboxylic acid
CID 115933628
3-(1-cyclopropylethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115932914
2-methyl-3-(2-methylcyclopropyl)benzimidazole-4-carboxylic acid
CID 112577261
3-(3,3-dimethylbutan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 104829416
methyl 2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]propanoate
CID 115553192
3-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbenzimidazole-4-carboxylic acid
CID 106346772

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid (CID 115933092) is 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid is COC(=O)C(C)n1c(C2CC2)nc2cccc(C(=O)O)c21.
What is the InChIKey of 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is MAJZVDFGFNGMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-8(15(20)21-2)17-12-10(14(18)19)4-3-5-11(12)16-13(17)9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid?
2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).