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

C21H22BrN3O — CID 19242606

IUPAC1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21
InChIInChI=1S/C21H22BrN3O/c1-14(2)12-25-19-9-4-3-8-18(19)23-21(25)15-10-20(26)24(13-15)17-7-5-6-16(22)11-17/h3-9,11,14-15H,10,12-13H2,1-2H3
InChIKeyJALPLCRRHXYLSR-UHFFFAOYSA-N
MW412.33 g/mol
LogP4.98
Rot. Bonds4

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

1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 19242606) has the molecular formula C21H22BrN3O and a molecular weight of 412.33 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID19242606
Molecular FormulaC21H22BrN3O
Molecular Weight412.33 g/mol
Exact Mass411.09
IUPAC Name1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21
InChIInChI=1S/C21H22BrN3O/c1-14(2)12-25-19-9-4-3-8-18(19)23-21(25)15-10-20(26)24(13-15)17-7-5-6-16(22)11-17/h3-9,11,14-15H,10,12-13H2,1-2H3
InChIKeyJALPLCRRHXYLSR-UHFFFAOYSA-N
XLogP4.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
(4S)-4-[1-(2-methylpropyl)benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 7080442
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
(4R)-1-(4-methoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40504927
(4S)-1-(4-chloro-3-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7574647
(4S)-1-(3-chloro-4-methylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080651
ethyl 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17005883
1-(4-bromophenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004666
1-(3-bromophenyl)-4-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242714
1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242654
1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242591

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 19242606) is 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is CC(C)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21.
What is the InChIKey of 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is JALPLCRRHXYLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O/c1-14(2)12-25-19-9-4-3-8-18(19)23-21(25)15-10-20(26)24(13-15)17-7-5-6-16(22)11-17/h3-9,11,14-15H,10,12-13H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 412.33 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 19242606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).