N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide

C26H30N4O2 — CID 17002613

IUPACN-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
SMILESCN(C(=O)Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C26H30N4O2/c1-28(20-10-4-2-5-11-20)25(32)18-30-23-15-9-8-14-22(23)27-26(30)19-16-24(31)29(17-19)21-12-6-3-7-13-21/h3,6-9,12-15,19-20H,2,4-5,10-11,16-18H2,1H3
InChIKeyPSOIWBSQBPWNOA-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.35
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide

N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide (PubChem CID 17002613) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
PubChem CID17002613
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
SMILESCN(C(=O)Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21)C1CCCCC1
InChIInChI=1S/C26H30N4O2/c1-28(20-10-4-2-5-11-20)25(32)18-30-23-15-9-8-14-22(23)27-26(30)19-16-24(31)29(17-19)21-12-6-3-7-13-21/h3,6-9,12-15,19-20H,2,4-5,10-11,16-18H2,1H3
InChIKeyPSOIWBSQBPWNOA-UHFFFAOYSA-N
XLogP4.35
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[2-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17004921
N-benzyl-2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-cyclohexylacetamide
CID 19242643
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
(4R)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 962234
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,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
2-[2-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17004639
2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387139
2-[2-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19242486

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide (CID 17002613) is N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide is CN(C(=O)Cn1c(C2CC(=O)N(c3ccccc3)C2)nc2ccccc21)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide?
The InChIKey is PSOIWBSQBPWNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-28(20-10-4-2-5-11-20)25(32)18-30-23-15-9-8-14-22(23)27-26(30)19-16-24(31)29(17-19)21-12-6-3-7-13-21/h3,6-9,12-15,19-20H,2,4-5,10-11,16-18H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide?
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17002613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).