N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide

C29H29BrN4O2 — CID 17003405

IUPACN-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21
InChIInChI=1S/C29H29BrN4O2/c1-20(2)32(17-21-10-4-3-5-11-21)28(36)19-34-26-15-9-7-13-24(26)31-29(34)22-16-27(35)33(18-22)25-14-8-6-12-23(25)30/h3-15,20,22H,16-19H2,1-2H3
InChIKeyJLBBUADCKBASBM-UHFFFAOYSA-N
MW545.48 g/mol
LogP5.76
Rot. Bonds7

About N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 17003405) has the molecular formula C29H29BrN4O2 and a molecular weight of 545.48 g/mol. Its IUPAC name is N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID17003405
Molecular FormulaC29H29BrN4O2
Molecular Weight545.48 g/mol
Exact Mass544.15
IUPAC NameN-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1ccccc1)C(=O)Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21
InChIInChI=1S/C29H29BrN4O2/c1-20(2)32(17-21-10-4-3-5-11-21)28(36)19-34-26-15-9-7-13-24(26)31-29(34)22-16-27(35)33(18-22)25-14-8-6-12-23(25)30/h3-15,20,22H,16-19H2,1-2H3
InChIKeyJLBBUADCKBASBM-UHFFFAOYSA-N
XLogP5.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-[1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003258
1-(2-bromophenyl)-4-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003394
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-bromophenyl)pyrrolidin-2-one
CID 17003393
2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 40852415
2-[2-[1-(2,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 17003086
1-(2-bromophenyl)-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003275
2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
(4R)-1-(2-bromophenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080560
(4R)-1-(2-bromophenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080570
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
1-(2-bromophenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003355
2-[2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 35179935

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 17003405) is N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)N(Cc1ccccc1)C(=O)Cn1c(C2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21.
What is the InChIKey of N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is JLBBUADCKBASBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29BrN4O2/c1-20(2)32(17-21-10-4-3-5-11-21)28(36)19-34-26-15-9-7-13-24(26)31-29(34)22-16-27(35)33(18-22)25-14-8-6-12-23(25)30/h3-15,20,22H,16-19H2,1-2H3.
What are the key properties of N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 545.48 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[1-(2-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 17003405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).