1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

C26H31N3O2 — CID 17005345

IUPAC1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C26H31N3O2/c30-25-18-20(19-29(25)21-10-3-1-4-11-21)26-27-23-14-7-8-15-24(23)28(26)16-9-17-31-22-12-5-2-6-13-22/h2,5-8,12-15,20-21H,1,3-4,9-11,16-19H2
InChIKeyBBMVPAQZNUHCIL-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.15
Rot. Bonds7

About 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17005345) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17005345
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2CCCOc2ccccc2)CN1C1CCCCC1
InChIInChI=1S/C26H31N3O2/c30-25-18-20(19-29(25)21-10-3-1-4-11-21)26-27-23-14-7-8-15-24(23)28(26)16-9-17-31-22-12-5-2-6-13-22/h2,5-8,12-15,20-21H,1,3-4,9-11,16-19H2
InChIKeyBBMVPAQZNUHCIL-UHFFFAOYSA-N
XLogP5.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005363
1-cyclopentyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965295
1-cyclohexyl-4-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005389
4-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005361
1-cyclohexyl-4-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005386
1-cyclopentyl-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965277
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965317
1-cyclopentyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965306
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-cyclopentylpyrrolidin-2-one
CID 16965247
1-cyclohexyl-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005351

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17005345) is 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2CCCOc2ccccc2)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is BBMVPAQZNUHCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c30-25-18-20(19-29(25)21-10-3-1-4-11-21)26-27-23-14-7-8-15-24(23)28(26)16-9-17-31-22-12-5-2-6-13-22/h2,5-8,12-15,20-21H,1,3-4,9-11,16-19H2.
What are the key properties of 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 417.55 g/mol, XLogP of 5.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17005345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).