5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

C15H16ClN3O2 — CID 117490932

IUPAC5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCc1nccn1-c1ccc(C2CC(C(=O)O)CN2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-9-17-4-5-19(9)14-3-2-10(6-12(14)16)13-7-11(8-18-13)15(20)21/h2-6,11,13,18H,7-8H2,1H3,(H,20,21)
InChIKeyUMFVLZBKORJDGW-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.57
Rot. Bonds3

About 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid

5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117490932) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117490932
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESCc1nccn1-c1ccc(C2CC(C(=O)O)CN2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-9-17-4-5-19(9)14-3-2-10(6-12(14)16)13-7-11(8-18-13)15(20)21/h2-6,11,13,18H,7-8H2,1H3,(H,20,21)
InChIKeyUMFVLZBKORJDGW-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-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

5-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467293
1-(2-chloro-4-pyrrolidin-2-ylphenyl)-2-methylimidazole
CID 117409218
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117440154
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839
5-isoquinolin-7-ylpyrrolidine-3-carboxylic acid
CID 117357640
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
5-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117367740
5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117404845
5-(1-propan-2-ylbenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117436094
5-[4-(triazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117399252
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 117490932) is 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is Cc1nccn1-c1ccc(C2CC(C(=O)O)CN2)cc1Cl.
What is the InChIKey of 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is UMFVLZBKORJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-17-4-5-19(9)14-3-2-10(6-12(14)16)13-7-11(8-18-13)15(20)21/h2-6,11,13,18H,7-8H2,1H3,(H,20,21).
What are the key properties of 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid?
5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 305.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117490932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).