N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

C21H21FN4O — CID 45178841

IUPACN-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C21H21FN4O/c22-17-4-1-3-16(13-17)15-6-8-18(9-7-15)25-21(27)19-5-2-12-26(19)14-20-23-10-11-24-20/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,23,24)(H,25,27)
InChIKeyUPGCSZIEXJIUJU-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.82
Rot. Bonds5

About N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 45178841) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID45178841
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ncc[nH]1
InChIInChI=1S/C21H21FN4O/c22-17-4-1-3-16(13-17)15-6-8-18(9-7-15)25-21(27)19-5-2-12-26(19)14-20-23-10-11-24-20/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,23,24)(H,25,27)
InChIKeyUPGCSZIEXJIUJU-UHFFFAOYSA-N
XLogP3.82
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-fluorophenyl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidine-2-carboxamide
CID 45213408
(2S)-N-[4-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42518874
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274414
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 45212909
N-[3-(4-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 45177772
(3R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 42522383
(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 25286689
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 45178841) is N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cccc(F)c2)cc1)C1CCCN1Cc1ncc[nH]1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UPGCSZIEXJIUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c22-17-4-1-3-16(13-17)15-6-8-18(9-7-15)25-21(27)19-5-2-12-26(19)14-20-23-10-11-24-20/h1,3-4,6-11,13,19H,2,5,12,14H2,(H,23,24)(H,25,27).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45178841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).