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

C22H24BrN3O — CID 17004666

IUPAC1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24BrN3O/c1-3-15(2)13-26-20-7-5-4-6-19(20)24-22(26)16-12-21(27)25(14-16)18-10-8-17(23)9-11-18/h4-11,15-16H,3,12-14H2,1-2H3
InChIKeyIQILEYCFBNQYDN-UHFFFAOYSA-N
MW426.36 g/mol
LogP5.37
Rot. Bonds5

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

1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17004666) has the molecular formula C22H24BrN3O and a molecular weight of 426.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17004666
Molecular FormulaC22H24BrN3O
Molecular Weight426.36 g/mol
Exact Mass425.11
IUPAC Name1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCC(C)Cn1c(C2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21
InChIInChI=1S/C22H24BrN3O/c1-3-15(2)13-26-20-7-5-4-6-19(20)24-22(26)16-12-21(27)25(14-16)18-10-8-17(23)9-11-18/h4-11,15-16H,3,12-14H2,1-2H3
InChIKeyIQILEYCFBNQYDN-UHFFFAOYSA-N
XLogP5.37
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004302
(4R)-1-(4-bromophenyl)-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080478
1-(4-bromophenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004697
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
(4S)-1-(4-bromophenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 92717240
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3786381
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
1-(4-bromophenyl)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004665
(4R)-1-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136822
1-(4-bromophenyl)-4-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004710
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17004666) is 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is CCC(C)Cn1c(C2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is IQILEYCFBNQYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O/c1-3-15(2)13-26-20-7-5-4-6-19(20)24-22(26)16-12-21(27)25(14-16)18-10-8-17(23)9-11-18/h4-11,15-16H,3,12-14H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 426.36 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17004666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).