N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide

C28H36N4O2 — CID 17005167

IUPACN-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)CCCC)CC2=O)cc1
InChIInChI=1S/C28H36N4O2/c1-4-6-10-21-13-15-23(16-14-21)31-19-22(18-26(31)33)28-29-24-11-8-9-12-25(24)32(28)20-27(34)30(3)17-7-5-2/h8-9,11-16,22H,4-7,10,17-20H2,1-3H3
InChIKeyCMZMCNDLEYAZIJ-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.16
Rot. Bonds10

About N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide

N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (PubChem CID 17005167) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
PubChem CID17005167
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC NameN-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)CCCC)CC2=O)cc1
InChIInChI=1S/C28H36N4O2/c1-4-6-10-21-13-15-23(16-14-21)31-19-22(18-26(31)33)28-29-24-11-8-9-12-25(24)32(28)20-27(34)30(3)17-7-5-2/h8-9,11-16,22H,4-7,10,17-20H2,1-3H3
InChIKeyCMZMCNDLEYAZIJ-UHFFFAOYSA-N
XLogP5.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40841172
2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17005169
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 17005510
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 19242794
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782
N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17004921
N-butyl-N-methyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964688
N,N-diethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (CID 17005167) is N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is CCCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)CCCC)CC2=O)cc1.
What is the InChIKey of N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is CMZMCNDLEYAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-4-6-10-21-13-15-23(16-14-21)31-19-22(18-26(31)33)28-29-24-11-8-9-12-25(24)32(28)20-27(34)30(3)17-7-5-2/h8-9,11-16,22H,4-7,10,17-20H2,1-3H3.
What are the key properties of N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 460.62 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 17005167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).