2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

C25H29BrN4O2 — CID 19242638

IUPAC2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21)C(C)C
InChIInChI=1S/C25H29BrN4O2/c1-16(2)30(17(3)4)24(32)15-29-22-11-6-5-10-21(22)27-25(29)18-12-23(31)28(14-18)20-9-7-8-19(26)13-20/h5-11,13,16-18H,12,14-15H2,1-4H3
InChIKeyGFDZSWKIFPSTSJ-UHFFFAOYSA-N
MW497.44 g/mol
LogP4.96
Rot. Bonds6

About 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide

2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (PubChem CID 19242638) has the molecular formula C25H29BrN4O2 and a molecular weight of 497.44 g/mol. Its IUPAC name is 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
PubChem CID19242638
Molecular FormulaC25H29BrN4O2
Molecular Weight497.44 g/mol
Exact Mass496.15
IUPAC Name2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21)C(C)C
InChIInChI=1S/C25H29BrN4O2/c1-16(2)30(17(3)4)24(32)15-29-22-11-6-5-10-21(22)27-25(29)18-12-23(31)28(14-18)20-9-7-8-19(26)13-20/h5-11,13,16-18H,12,14-15H2,1-4H3
InChIKeyGFDZSWKIFPSTSJ-UHFFFAOYSA-N
XLogP4.96
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17005883
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
1-(3-bromophenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612
1-(3-bromophenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242654
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 19242643
2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 17003086
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19242486
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
1-(3-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242591

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide (CID 19242638) is 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)Cn1c(C2CC(=O)N(c3cccc(Br)c3)C2)nc2ccccc21)C(C)C.
What is the InChIKey of 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is GFDZSWKIFPSTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29BrN4O2/c1-16(2)30(17(3)4)24(32)15-29-22-11-6-5-10-21(22)27-25(29)18-12-23(31)28(14-18)20-9-7-8-19(26)13-20/h5-11,13,16-18H,12,14-15H2,1-4H3.
What are the key properties of 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide?
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 497.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 19242638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).