1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H27N3O3 — CID 17003743

IUPAC1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C27H27N3O3/c1-3-33-25-11-7-6-10-24(25)29-18-20(16-26(29)31)27-28-22-8-4-5-9-23(22)30(27)17-19-12-14-21(32-2)15-13-19/h4-15,20H,3,16-18H2,1-2H3
InChIKeyKRAJETSIUXINKI-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.01
Rot. Bonds7

About 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one

1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17003743) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17003743
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(OC)cc2)CC1=O
InChIInChI=1S/C27H27N3O3/c1-3-33-25-11-7-6-10-24(25)29-18-20(16-26(29)31)27-28-22-8-4-5-9-23(22)30(27)17-19-12-14-21(32-2)15-13-19/h4-15,20H,3,16-18H2,1-2H3
InChIKeyKRAJETSIUXINKI-UHFFFAOYSA-N
XLogP5.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-1-(2-ethoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40852349
(4S)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40964390
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
1-(2-methoxyphenyl)-4-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3405569
(4S)-1-(4-methoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792530
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
1-(2-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3707339
(4S)-1-(4-ethylphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35180053
(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 7011791

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 17003743) is 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is CCOc1ccccc1N1CC(c2nc3ccccc3n2Cc2ccc(OC)cc2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KRAJETSIUXINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-3-33-25-11-7-6-10-24(25)29-18-20(16-26(29)31)27-28-22-8-4-5-9-23(22)30(27)17-19-12-14-21(32-2)15-13-19/h4-15,20H,3,16-18H2,1-2H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 441.53 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17003743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).