1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one

C35H57N3O — CID 17005289

IUPAC1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(C3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C35H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-37-33-26-21-20-25-32(33)36-35(37)30-28-34(39)38(29-30)31-23-18-17-19-24-31/h20-21,25-26,30-31H,2-19,22-24,27-29H2,1H3
InChIKeyJEFHEVMLUSVKFA-UHFFFAOYSA-N
MW535.86 g/mol
LogP9.95
Rot. Bonds19

About 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one

1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 17005289) has the molecular formula C35H57N3O and a molecular weight of 535.86 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID17005289
Molecular FormulaC35H57N3O
Molecular Weight535.86 g/mol
Exact Mass535.45
IUPAC Name1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(C3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C35H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-37-33-26-21-20-25-32(33)36-35(37)30-28-34(39)38(29-30)31-23-18-17-19-24-31/h20-21,25-26,30-31H,2-19,22-24,27-29H2,1H3
InChIKeyJEFHEVMLUSVKFA-UHFFFAOYSA-N
XLogP9.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.86
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965049
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
1-cyclohexyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005363
1-cyclopentyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965306
1-cyclohexyl-4-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005386
1-cyclohexyl-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005272

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (CID 17005289) is 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(C3CCCCC3)C2)nc2ccccc21.
What is the InChIKey of 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is JEFHEVMLUSVKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H57N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-27-37-33-26-21-20-25-32(33)36-35(37)30-28-34(39)38(29-30)31-23-18-17-19-24-31/h20-21,25-26,30-31H,2-19,22-24,27-29H2,1H3.
What are the key properties of 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 535.86 g/mol, XLogP of 9.95, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 17005289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).