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

C32H33BrN4O2 — CID 19242643

IUPACN-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESO=C1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CN1c1cccc(Br)c1
InChIInChI=1S/C32H33BrN4O2/c33-25-12-9-15-27(19-25)36-21-24(18-30(36)38)32-34-28-16-7-8-17-29(28)37(32)22-31(39)35(26-13-5-2-6-14-26)20-23-10-3-1-4-11-23/h1,3-4,7-12,15-17,19,24,26H,2,5-6,13-14,18,20-22H2
InChIKeyUOZXNFDHFNNGCF-UHFFFAOYSA-N
MW585.55 g/mol
LogP6.68
Rot. Bonds7

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

N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide (PubChem CID 19242643) has the molecular formula C32H33BrN4O2 and a molecular weight of 585.55 g/mol. Its IUPAC name is N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
PubChem CID19242643
Molecular FormulaC32H33BrN4O2
Molecular Weight585.55 g/mol
Exact Mass584.18
IUPAC NameN-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESO=C1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CN1c1cccc(Br)c1
InChIInChI=1S/C32H33BrN4O2/c33-25-12-9-15-27(19-25)36-21-24(18-30(36)38)32-34-28-16-7-8-17-29(28)37(32)22-31(39)35(26-13-5-2-6-14-26)20-23-10-3-1-4-11-23/h1,3-4,7-12,15-17,19,24,26H,2,5-6,13-14,18,20-22H2
InChIKeyUOZXNFDHFNNGCF-UHFFFAOYSA-N
XLogP6.68
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.55
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 19242638
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964693
ethyl 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17005883
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-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 19242612
N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17004921
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
1-(3-bromophenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 19242606
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 N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide (CID 19242643) is N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide is O=C1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CN1c1cccc(Br)c1.
What is the InChIKey of N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is UOZXNFDHFNNGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33BrN4O2/c33-25-12-9-15-27(19-25)36-21-24(18-30(36)38)32-34-28-16-7-8-17-29(28)37(32)22-31(39)35(26-13-5-2-6-14-26)20-23-10-3-1-4-11-23/h1,3-4,7-12,15-17,19,24,26H,2,5-6,13-14,18,20-22H2.
What are the key properties of N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide?
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 585.55 g/mol, XLogP of 6.68, 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-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 19242643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).