phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

C20H18FN3O2 — CID 172555176

IUPACphenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC1c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)17-13-22-19(23-17)18-7-4-12-24(18)20(25)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12H2,(H,22,23)
InChIKeyROROIYFHCYCNAM-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.55
Rot. Bonds3

About phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (PubChem CID 172555176) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
PubChem CID172555176
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Namephenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCCC1c1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)17-13-22-19(23-17)18-7-4-12-24(18)20(25)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12H2,(H,22,23)
InChIKeyROROIYFHCYCNAM-UHFFFAOYSA-N
XLogP4.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate 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

Carbamic acid, N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]-, 2-fluorophenyl ester
CID 9956414
2-fluorophenyl N-[7-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)heptan-2-yl]carbamate
CID 10117000
2-fluorophenyl N-{6-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]hexyl}carbamate
CID 10164370
2,6-difluorophenyl N-{6-[4,5-bis(4-fluorophenyl)-2-methyl-1H-imidazol-1-yl]hexyl}carbamate
CID 10186528
phenyl N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]carbamate
CID 10204450
2-fluorophenyl N-[8-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)octan-3-yl]carbamate
CID 10207150
[1-Isopropyl-6-(2-methyl-4,5-diphenyl-imidazol-1-yl)-hexyl]-carbamic acid 2-fluoro-phenyl ester
CID 10301312
2-fluorophenyl N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)-1-phenylhexyl]carbamate
CID 20586106
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
12-Benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11761265
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
4-[5-(4-Fluoro-phenyl)-2-(4-methoxy-phenyl)-3H-imidazol-4-yl]-pyridine
CID 10215420

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate (CID 172555176) is phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is O=C(Oc1ccccc1)N1CCCC1c1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is ROROIYFHCYCNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-10-8-14(9-11-15)17-13-22-19(23-17)18-7-4-12-24(18)20(25)26-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12H2,(H,22,23).
What are the key properties of phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate?
phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 351.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 172555176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).