1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

C24H26N4O3 — CID 175288050

IUPAC1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-6-9-19(10-7-16)26-23(29)21-5-4-12-28(21)24(30)18-8-11-20(22(13-18)31-3)27-14-17(2)25-15-27/h6-11,13-15,21H,4-5,12H2,1-3H3,(H,26,29)
InChIKeyFKHCRFYBMMBPQV-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.74
Rot. Bonds5

About 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide

1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 175288050) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID175288050
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide
SMILESCOc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-6-9-19(10-7-16)26-23(29)21-5-4-12-28(21)24(30)18-8-11-20(22(13-18)31-3)27-14-17(2)25-15-27/h6-11,13-15,21H,4-5,12H2,1-3H3,(H,26,29)
InChIKeyFKHCRFYBMMBPQV-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(2-phenylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 175288119
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 46747298
(2R)-N-(4-fluorophenyl)-1-(3-methylbenzoyl)pyrrolidine-2-carboxamide
CID 92666052
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
1-(3-acetamidobenzoyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55966477

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide (CID 175288050) is 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is COc1cc(C(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is FKHCRFYBMMBPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-6-9-19(10-7-16)26-23(29)21-5-4-12-28(21)24(30)18-8-11-20(22(13-18)31-3)27-14-17(2)25-15-27/h6-11,13-15,21H,4-5,12H2,1-3H3,(H,26,29).
What are the key properties of 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide?
1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]-N-(4-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 175288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).