1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one

C27H26BrN3O2 — CID 19242591

IUPAC1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1cccc(Br)c1
InChIInChI=1S/C27H26BrN3O2/c28-21-9-8-10-22(18-21)31-19-20(17-26(31)32)27-29-24-13-4-5-14-25(24)30(27)15-6-7-16-33-23-11-2-1-3-12-23/h1-5,8-14,18,20H,6-7,15-17,19H2
InChIKeyNUOGYSJRKXYLPX-UHFFFAOYSA-N
MW504.43 g/mol
LogP6.18
Rot. Bonds8

About 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 19242591) has the molecular formula C27H26BrN3O2 and a molecular weight of 504.43 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID19242591
Molecular FormulaC27H26BrN3O2
Molecular Weight504.43 g/mol
Exact Mass503.12
IUPAC Name1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1cccc(Br)c1
InChIInChI=1S/C27H26BrN3O2/c28-21-9-8-10-22(18-21)31-19-20(17-26(31)32)27-29-24-13-4-5-14-25(24)30(27)15-6-7-16-33-23-11-2-1-3-12-23/h1-5,8-14,18,20H,6-7,15-17,19H2
InChIKeyNUOGYSJRKXYLPX-UHFFFAOYSA-N
XLogP6.18
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-4-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242712
1-(3-bromophenyl)-4-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242714
1-(3-bromophenyl)-4-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242710
1-(2-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003355
(4R)-1-(4-chlorophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813996
1-(3-bromophenyl)-4-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005873
(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813543
4-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002601
1-(3-bromophenyl)-4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242586
1-(3-bromophenyl)-4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242677
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889097
1-(4-bromophenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004751

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 19242591) is 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is NUOGYSJRKXYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26BrN3O2/c28-21-9-8-10-22(18-21)31-19-20(17-26(31)32)27-29-24-13-4-5-14-25(24)30(27)15-6-7-16-33-23-11-2-1-3-12-23/h1-5,8-14,18,20H,6-7,15-17,19H2.
What are the key properties of 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 504.43 g/mol, XLogP of 6.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 19242591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).