N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H22N4O3 — CID 55556169

IUPACN-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)CC2=O)c1
InChIInChI=1S/C25H22N4O3/c1-32-21-6-4-5-20(14-21)28-15-17(13-24(28)30)25(31)27-18-9-11-19(12-10-18)29-16-26-22-7-2-3-8-23(22)29/h2-12,14,16-17H,13,15H2,1H3,(H,27,31)
InChIKeyLMANNEVZWAHQLQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.03
Rot. Bonds5

About N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55556169) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55556169
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)CC2=O)c1
InChIInChI=1S/C25H22N4O3/c1-32-21-6-4-5-20(14-21)28-15-17(13-24(28)30)25(31)27-18-9-11-19(12-10-18)29-16-26-22-7-2-3-8-23(22)29/h2-12,14,16-17H,13,15H2,1H3,(H,27,31)
InChIKeyLMANNEVZWAHQLQ-UHFFFAOYSA-N
XLogP4.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42883707
1-(3-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188155
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
(3S)-1-(3-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 25332767
propan-2-yl 4-[[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 1260248
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(3-methoxyphenyl)-5-oxo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 121024353
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46424432

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55556169) is N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)CC2=O)c1.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LMANNEVZWAHQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-32-21-6-4-5-20(14-21)28-15-17(13-24(28)30)25(31)27-18-9-11-19(12-10-18)29-16-26-22-7-2-3-8-23(22)29/h2-12,14,16-17H,13,15H2,1H3,(H,27,31).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55556169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).