5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid

C14H15N3O2 — CID 117396339

IUPAC5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-13(16-8-11)10-1-3-12(4-2-10)17-6-5-15-9-17/h1-6,9,11,13,16H,7-8H2,(H,18,19)
InChIKeyYAQWLDPBUKVVFA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.61
Rot. Bonds3

About 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid

5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117396339) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117396339
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-13(16-8-11)10-1-3-12(4-2-10)17-6-5-15-9-17/h1-6,9,11,13,16H,7-8H2,(H,18,19)
InChIKeyYAQWLDPBUKVVFA-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-imidazol-1-ylphenyl)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-[4-(triazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117399252
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
(2S)-2-(4-imidazol-1-ylphenyl)piperazine
CID 174526627
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117396333
5-isoquinolin-7-ylpyrrolidine-3-carboxylic acid
CID 117357640
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117490932
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(4-imidazol-1-ylphenyl)methanone
CID 72696904
5-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117467293
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959

Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117396339) is 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YAQWLDPBUKVVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)11-7-13(16-8-11)10-1-3-12(4-2-10)17-6-5-15-9-17/h1-6,9,11,13,16H,7-8H2,(H,18,19).
What are the key properties of 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid?
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117396339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).