5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid

C14H15N3O2 — CID 117396333

IUPAC5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(-c3ncc[nH]3)cc2)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-12(17-8-11)9-1-3-10(4-2-9)13-15-5-6-16-13/h1-6,11-12,17H,7-8H2,(H,15,16)(H,18,19)
InChIKeyRTVYVLZCBZXFQH-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds3

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

5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid (PubChem CID 117396333) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
PubChem CID117396333
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(-c3ncc[nH]3)cc2)C1
InChIInChI=1S/C14H15N3O2/c18-14(19)11-7-12(17-8-11)9-1-3-10(4-2-9)13-15-5-6-16-13/h1-6,11-12,17H,7-8H2,(H,15,16)(H,18,19)
InChIKeyRTVYVLZCBZXFQH-UHFFFAOYSA-N
XLogP1.81
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-imidazol-2-yl)benzoic Acid
CID 1475901
3-{4-[(1H-imidazol-2-ylmethyl)amino]phenyl}propanoic acid
CID 24825507
2-[4-(4-methylphenyl)-1H-imidazol-5-yl]acetic acid
CID 44427633
(3R)-2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]-3-phenylpropanoic acid
CID 164639545
2-[4-[2-(trifluoromethyl)-1H-imidazol-5-yl]phenyl]cyclopropane-1-carboxylic acid
CID 68510152
US20240091200, Example 128
CID 171664163
2-(4-Imidazolyl) hydrocinnamic acid
CID 105469549
(3S,4R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70739813
(3S*,4R*)-4-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 70747438
(3S*,4R*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 70779657
4-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 77853046
3-(4-fluoro-3-methylphenyl)-3-(1H-imidazol-2-yl)propanoic acid
CID 116834166

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid (CID 117396333) is 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc(-c3ncc[nH]3)cc2)C1.
What is the InChIKey of 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RTVYVLZCBZXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(19)11-7-12(17-8-11)9-1-3-10(4-2-9)13-15-5-6-16-13/h1-6,11-12,17H,7-8H2,(H,15,16)(H,18,19).
What are the key properties of 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid?
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117396333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).