N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C34H38N4O2 — CID 16964693

IUPACN-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1=O
InChIInChI=1S/C34H38N4O2/c1-25(27-15-7-3-8-16-27)36-23-28(21-32(36)39)34-35-30-19-11-12-20-31(30)38(34)24-33(40)37(29-17-9-4-10-18-29)22-26-13-5-2-6-14-26/h2-3,5-8,11-16,19-20,25,28-29H,4,9-10,17-18,21-24H2,1H3
InChIKeyPBTBVRDHDZLDBD-UHFFFAOYSA-N
MW534.70 g/mol
LogP6.47
Rot. Bonds8

About N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 16964693) has the molecular formula C34H38N4O2 and a molecular weight of 534.70 g/mol. Its IUPAC name is N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
PubChem CID16964693
Molecular FormulaC34H38N4O2
Molecular Weight534.70 g/mol
Exact Mass534.30
IUPAC NameN-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1=O
InChIInChI=1S/C34H38N4O2/c1-25(27-15-7-3-8-16-27)36-23-28(21-32(36)39)34-35-30-19-11-12-20-31(30)38(34)24-33(40)37(29-17-9-4-10-18-29)22-26-13-5-2-6-14-26/h2-3,5-8,11-16,19-20,25,28-29H,4,9-10,17-18,21-24H2,1H3
InChIKeyPBTBVRDHDZLDBD-UHFFFAOYSA-N
XLogP6.47
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.70
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964707
N-butyl-N-methyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964688
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 19242643
N-benzyl-N-cyclohexyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 16996581
4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964563
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N-benzyl-N-cyclohexyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 16996480
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17004921
N-benzyl-2-[2-[1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17003258

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide (CID 16964693) is N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide is CC(c1ccccc1)N1CC(c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)CC1=O.
What is the InChIKey of N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The InChIKey is PBTBVRDHDZLDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4O2/c1-25(27-15-7-3-8-16-27)36-23-28(21-32(36)39)34-35-30-19-11-12-20-31(30)38(34)24-33(40)37(29-17-9-4-10-18-29)22-26-13-5-2-6-14-26/h2-3,5-8,11-16,19-20,25,28-29H,4,9-10,17-18,21-24H2,1H3.
What are the key properties of N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 534.70 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclohexyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 16964693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).