(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

C23H25FN4O — CID 25274414

IUPAC(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C
InChIInChI=1S/C23H25FN4O/c1-16-25-14-21(27(16)2)15-28-12-4-7-22(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)13-18/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyJXBSQTJUNWLIBB-JOCHJYFZSA-N
MW392.48 g/mol
LogP4.14
Rot. Bonds5

About (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 25274414) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID25274414
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C
InChIInChI=1S/C23H25FN4O/c1-16-25-14-21(27(16)2)15-28-12-4-7-22(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)13-18/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,26,29)/t22-/m1/s1
InChIKeyJXBSQTJUNWLIBB-JOCHJYFZSA-N
XLogP4.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[4-(3-fluorophenyl)phenyl]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45178841
N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 45212909
(2R)-N-[4-(3-fluorophenyl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 25376485
(2R)-N-[4-(3-methoxyphenyl)phenyl]-1-[(2-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 25286689
N-[3-(4-fluorophenyl)phenyl]-1-[[5-(hydroxymethyl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 45177772
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(2R)-1-[(1-methylimidazol-2-yl)methyl]-N-[3-(3-methylphenyl)phenyl]pyrrolidine-2-carboxamide
CID 42515252
(2S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 72887571
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (CID 25274414) is (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is Cc1ncc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C.
What is the InChIKey of (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JXBSQTJUNWLIBB-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16-25-14-21(27(16)2)15-28-12-4-7-22(28)23(29)26-20-10-8-17(9-11-20)18-5-3-6-19(24)13-18/h3,5-6,8-11,13-14,22H,4,7,12,15H2,1-2H3,(H,26,29)/t22-/m1/s1.
What are the key properties of (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25274414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).