2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

C32H36N4O2 — CID 17005169

IUPAC2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1
InChIInChI=1S/C32H36N4O2/c1-4-5-11-24-16-18-26(19-17-24)34-21-25(20-30(34)37)32-33-28-14-9-10-15-29(28)35(32)22-31(38)36(23(2)3)27-12-7-6-8-13-27/h6-10,12-19,23,25H,4-5,11,20-22H2,1-3H3
InChIKeyBWEGHZLFTGZBHE-UHFFFAOYSA-N
MW508.67 g/mol
LogP6.34
Rot. Bonds9

About 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide

2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (PubChem CID 17005169) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
PubChem CID17005169
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
SMILESCCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1
InChIInChI=1S/C32H36N4O2/c1-4-5-11-24-16-18-26(19-17-24)34-21-25(20-30(34)37)32-33-28-14-9-10-15-29(28)35(32)22-31(38)36(23(2)3)27-12-7-6-8-13-27/h6-10,12-19,23,25H,4-5,11,20-22H2,1-3H3
InChIKeyBWEGHZLFTGZBHE-UHFFFAOYSA-N
XLogP6.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17005167
ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40841172
2-[2-[(3S)-1-(2-ethoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 40852415
2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 19242790
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
N,N-diethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 17005016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide (CID 17005169) is 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is CCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(c3ccccc3)C(C)C)CC2=O)cc1.
What is the InChIKey of 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
The InChIKey is BWEGHZLFTGZBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-4-5-11-24-16-18-26(19-17-24)34-21-25(20-30(34)37)32-33-28-14-9-10-15-29(28)35(32)22-31(38)36(23(2)3)27-12-7-6-8-13-27/h6-10,12-19,23,25H,4-5,11,20-22H2,1-3H3.
What are the key properties of 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide?
2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide has a molecular weight of 508.67 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 17005169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).