4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid

C19H17N3O3 — CID 25346217

IUPAC4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(12-7-9-13(10-8-12)19(24)25)22-11-3-6-16(22)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,21)(H,24,25)/t16-/m1/s1
InChIKeyZFTNQSONYGOFQC-MRXNPFEDSA-N
MW335.36 g/mol
LogP3.24
Rot. Bonds3

About 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid

4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid (PubChem CID 25346217) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
PubChem CID25346217
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H17N3O3/c23-18(12-7-9-13(10-8-12)19(24)25)22-11-3-6-16(22)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,21)(H,24,25)/t16-/m1/s1
InChIKeyZFTNQSONYGOFQC-MRXNPFEDSA-N
XLogP3.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic 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

[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
[4-(azepan-1-ylsulfonyl)phenyl]-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 55453578
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
tert-butyl N-[[4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]carbamate
CID 51559795
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
4-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-N-(4-chlorophenyl)benzenesulfonamide
CID 55453222
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid?
The IUPAC name of 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid (CID 25346217) is 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid?
The canonical SMILES for 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid is O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid?
The InChIKey is ZFTNQSONYGOFQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(12-7-9-13(10-8-12)19(24)25)22-11-3-6-16(22)17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,21)(H,24,25)/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid?
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 25346217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).