3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid

C15H18N2O3 — CID 82124113

IUPAC3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
SMILESCn1c(=O)n(C)c2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-12-6-5-10(7-13(12)17(2)15(16)20)11(8-14(18)19)9-3-4-9/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyMUIJGWJDJCKRSH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.85
Rot. Bonds4

About 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid

3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid (PubChem CID 82124113) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
PubChem CID82124113
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
SMILESCn1c(=O)n(C)c2cc(C(CC(=O)O)C3CC3)ccc21
InChIInChI=1S/C15H18N2O3/c1-16-12-6-5-10(7-13(12)17(2)15(16)20)11(8-14(18)19)9-3-4-9/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19)
InChIKeyMUIJGWJDJCKRSH-UHFFFAOYSA-N
XLogP1.85
TPSA64.23 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 ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic 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

3-cyclopropyl-3-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanoic acid
CID 117404634
3-cyclopropyl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanoic acid
CID 82124052
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-cyclopropyl-3-(4-fluoro-3-propan-2-ylphenyl)propanoic acid
CID 117379319
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-cyclopropyl-3-(3-pentan-3-ylphenyl)propanoic acid
CID 117405507
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023
5-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-hydroxypentanoic acid
CID 62298502
3-cyclopropyl-3-(3-fluoro-4-methylsulfanylphenyl)propanoic acid
CID 117389246
3-cyclopropyl-3-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)propanoic acid
CID 117436278

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid?
The IUPAC name of 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid (CID 82124113) is 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid is Cn1c(=O)n(C)c2cc(C(CC(=O)O)C3CC3)ccc21.
What is the InChIKey of 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid?
The InChIKey is MUIJGWJDJCKRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-12-6-5-10(7-13(12)17(2)15(16)20)11(8-14(18)19)9-3-4-9/h5-7,9,11H,3-4,8H2,1-2H3,(H,18,19).
What are the key properties of 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid?
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 82124113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).