1,3-bis(3-methylbutyl)benzimidazol-2-one

C17H26N2O — CID 23728513

IUPAC1,3-bis(3-methylbutyl)benzimidazol-2-one
SMILESCC(C)CCn1c(=O)n(CCC(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-13(2)9-11-18-15-7-5-6-8-16(15)19(17(18)20)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyMWIPGIGZVKSCRD-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.90
Rot. Bonds6

About 1,3-bis(3-methylbutyl)benzimidazol-2-one

1,3-bis(3-methylbutyl)benzimidazol-2-one (PubChem CID 23728513) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1,3-bis(3-methylbutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(3-methylbutyl)benzimidazol-2-one
PubChem CID23728513
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1,3-bis(3-methylbutyl)benzimidazol-2-one
SMILESCC(C)CCn1c(=O)n(CCC(C)C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-13(2)9-11-18-15-7-5-6-8-16(15)19(17(18)20)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyMWIPGIGZVKSCRD-UHFFFAOYSA-N
XLogP3.90
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(3-methylbutyl)benzimidazol-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 1,3-bis(3-methylbutyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(3-methylbutyl)benzimidazol-2-one (CID 23728513) is 1,3-bis(3-methylbutyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(3-methylbutyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(3-methylbutyl)benzimidazol-2-one is CC(C)CCn1c(=O)n(CCC(C)C)c2ccccc21.
What is the InChIKey of 1,3-bis(3-methylbutyl)benzimidazol-2-one?
The InChIKey is MWIPGIGZVKSCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)9-11-18-15-7-5-6-8-16(15)19(17(18)20)12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 1,3-bis(3-methylbutyl)benzimidazol-2-one?
1,3-bis(3-methylbutyl)benzimidazol-2-one has a molecular weight of 274.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylbutyl)benzimidazol-2-one is sourced from PubChem (CID 23728513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).