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

C23H25FN4O — CID 45197636

IUPAC1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCCC2C(=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)
InChIKeyJXBSQTJUNWLIBB-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.14
Rot. Bonds5

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

1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45197636) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45197636
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ncc(CN2CCCC2C(=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)
InChIKeyJXBSQTJUNWLIBB-UHFFFAOYSA-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

Agi-5198
CID 56645356
Ins018_055
CID 164938183
N-(4-(((3S)-3-(dimethylamino)pyrrolidin-1-yl)carbonyl)phenyl)-5-fluoro-4-(2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 16113377
(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
CID 110993
6-((2-(1H-Imidazol-5-yl)ethyl)amino)-N-(4-(trifluoromethyl)phenyl)heptanamide
CID 124846
1-Phenylcarbamoylmethyl-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16682349
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 22224657
4-(5-fluoro-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563111
Azd-5597
CID 16113484
L-Histidine beta-naphthylamide
CID 688489
2-(Biphenyl-4-Yl)-8-[(1-Methyl-1h-Imidazol-2-Yl)methyl]-2,8-Diazaspiro[4.5]decan-1-One
CID 71748680
2-fluoro-4-(4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidin-2-ylamino)benzamide
CID 44563144

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide (CID 45197636) is 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is Cc1ncc(CN2CCCC2C(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1C.
What is the InChIKey of 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JXBSQTJUNWLIBB-UHFFFAOYSA-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).
What are the key properties of 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide?
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 1-[(2,3-dimethylimidazol-4-yl)methyl]-N-[4-(3-fluorophenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45197636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).