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

C14H14FN3O2 — CID 129096469

IUPAC2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H14FN3O2/c15-10-4-1-3-9(7-10)11-8-16-13(17-11)12-5-2-6-18(12)14(19)20/h1,3-4,7-8,12H,2,5-6H2,(H,16,17)(H,19,20)
InChIKeyIJIRHGXPZKWMON-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.03
Rot. Bonds2

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

2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 129096469) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID129096469
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C14H14FN3O2/c15-10-4-1-3-9(7-10)11-8-16-13(17-11)12-5-2-6-18(12)14(19)20/h1,3-4,7-8,12H,2,5-6H2,(H,16,17)(H,19,20)
InChIKeyIJIRHGXPZKWMON-UHFFFAOYSA-N
XLogP3.03
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-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

(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
cyclopropyl-[(2R)-2-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone
CID 95630311
(2S)-2-[5-(4-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90259688
3-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]benzamide
CID 86945296
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 96533760
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 129096546
2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 154015559
4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
CID 154833142
2-[5-[4-[5-(4-aminophenyl)-1-(4-fluorophenyl)pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 151789515
4-[4-[2-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-2-oxoethoxy]phenyl]butan-2-one
CID 86945325
1-[2-[5-(3-bromophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 174731623

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 129096469) is 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1ncc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is IJIRHGXPZKWMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-4-1-3-9(7-10)11-8-16-13(17-11)12-5-2-6-18(12)14(19)20/h1,3-4,7-8,12H,2,5-6H2,(H,16,17)(H,19,20).
What are the key properties of 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 129096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).