1-decyl-3-methylbenzimidazol-2-one

C18H28N2O — CID 116621203

IUPAC1-decyl-3-methylbenzimidazol-2-one
SMILESCCCCCCCCCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-8-9-12-15-20-17-14-11-10-13-16(17)19(2)18(20)21/h10-11,13-14H,3-9,12,15H2,1-2H3
InChIKeyXZEKMCLHQIZBSH-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.48
Rot. Bonds9

About 1-decyl-3-methylbenzimidazol-2-one

1-decyl-3-methylbenzimidazol-2-one (PubChem CID 116621203) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-decyl-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-decyl-3-methylbenzimidazol-2-one
PubChem CID116621203
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-decyl-3-methylbenzimidazol-2-one
SMILESCCCCCCCCCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-8-9-12-15-20-17-14-11-10-13-16(17)19(2)18(20)21/h10-11,13-14H,3-9,12,15H2,1-2H3
InChIKeyXZEKMCLHQIZBSH-UHFFFAOYSA-N
XLogP4.48
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-decyl-3-methylbenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 1-decyl-3-methylbenzimidazol-2-one?
The IUPAC name of 1-decyl-3-methylbenzimidazol-2-one (CID 116621203) is 1-decyl-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-decyl-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-decyl-3-methylbenzimidazol-2-one is CCCCCCCCCCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-decyl-3-methylbenzimidazol-2-one?
The InChIKey is XZEKMCLHQIZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-6-7-8-9-12-15-20-17-14-11-10-13-16(17)19(2)18(20)21/h10-11,13-14H,3-9,12,15H2,1-2H3.
What are the key properties of 1-decyl-3-methylbenzimidazol-2-one?
1-decyl-3-methylbenzimidazol-2-one has a molecular weight of 288.44 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-3-methylbenzimidazol-2-one is sourced from PubChem (CID 116621203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).