N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide

C28H34N4O2 — CID 17004921

IUPACN-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)CC2=O)cc1
InChIInChI=1S/C28H34N4O2/c1-3-20-13-15-23(16-14-20)31-18-21(17-26(31)33)28-29-24-11-7-8-12-25(24)32(28)19-27(34)30(2)22-9-5-4-6-10-22/h7-8,11-16,21-22H,3-6,9-10,17-19H2,1-2H3
InChIKeyIYCMBVFSEAAQBZ-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.91
Rot. Bonds6

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

N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (PubChem CID 17004921) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
PubChem CID17004921
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC NameN-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
SMILESCCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)CC2=O)cc1
InChIInChI=1S/C28H34N4O2/c1-3-20-13-15-23(16-14-20)31-18-21(17-26(31)33)28-29-24-11-7-8-12-25(24)32(28)19-27(34)30(2)22-9-5-4-6-10-22/h7-8,11-16,21-22H,3-6,9-10,17-19H2,1-2H3
InChIKeyIYCMBVFSEAAQBZ-UHFFFAOYSA-N
XLogP4.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
(4S)-4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 39115887
(4R)-4-(1-ethylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 6941280
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,N-diethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17005167
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 7080382
(4R)-1-(4-ethylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080385
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide (CID 17004921) is N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is CCc1ccc(N2CC(c3nc4ccccc4n3CC(=O)N(C)C3CCCCC3)CC2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
The InChIKey is IYCMBVFSEAAQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-3-20-13-15-23(16-14-20)31-18-21(17-26(31)33)28-29-24-11-7-8-12-25(24)32(28)19-27(34)30(2)22-9-5-4-6-10-22/h7-8,11-16,21-22H,3-6,9-10,17-19H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide?
N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide has a molecular weight of 458.61 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 17004921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).