N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C22H22N4O3 — CID 60593455

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(-n4ccnc4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-29-20-8-6-19(7-9-20)26-14-17(12-21(26)27)22(28)24-13-16-2-4-18(5-3-16)25-11-10-23-15-25/h2-11,15,17H,12-14H2,1H3,(H,24,28)
InChIKeyUVINUKAXHNHFKG-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 60593455) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID60593455
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccc(-n4ccnc4)cc3)CC2=O)cc1
InChIInChI=1S/C22H22N4O3/c1-29-20-8-6-19(7-9-20)26-14-17(12-21(26)27)22(28)24-13-16-2-4-18(5-3-16)25-11-10-23-15-25/h2-11,15,17H,12-14H2,1H3,(H,24,28)
InChIKeyUVINUKAXHNHFKG-UHFFFAOYSA-N
XLogP2.55
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
N-[[4-(butanoylamino)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55781741
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973
1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2955372
(3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976970
1-(4-ethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 60574514
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-N-[(4-methoxyphenyl)methyl]-1-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40976965
(3R)-1-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 126160735

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 60593455) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccc(-n4ccnc4)cc3)CC2=O)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UVINUKAXHNHFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-20-8-6-19(7-9-20)26-14-17(12-21(26)27)22(28)24-13-16-2-4-18(5-3-16)25-11-10-23-15-25/h2-11,15,17H,12-14H2,1H3,(H,24,28).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 60593455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).