2-methyl-1-(2-methylbutyl)benzimidazole

C13H18N2 — CID 2945698

IUPAC2-methyl-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)14-12-7-5-6-8-13(12)15/h5-8,10H,4,9H2,1-3H3
InChIKeyRVDUEUQZKRGART-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.39
Rot. Bonds3

About 2-methyl-1-(2-methylbutyl)benzimidazole

2-methyl-1-(2-methylbutyl)benzimidazole (PubChem CID 2945698) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-1-(2-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(2-methylbutyl)benzimidazole
PubChem CID2945698
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-methyl-1-(2-methylbutyl)benzimidazole
SMILESCCC(C)Cn1c(C)nc2ccccc21
InChIInChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)14-12-7-5-6-8-13(12)15/h5-8,10H,4,9H2,1-3H3
InChIKeyRVDUEUQZKRGART-UHFFFAOYSA-N
XLogP3.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylbutyl)benzimidazole?
The IUPAC name of 2-methyl-1-(2-methylbutyl)benzimidazole (CID 2945698) is 2-methyl-1-(2-methylbutyl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(2-methylbutyl)benzimidazole?
The canonical SMILES for 2-methyl-1-(2-methylbutyl)benzimidazole is CCC(C)Cn1c(C)nc2ccccc21.
What is the InChIKey of 2-methyl-1-(2-methylbutyl)benzimidazole?
The InChIKey is RVDUEUQZKRGART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-10(2)9-15-11(3)14-12-7-5-6-8-13(12)15/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylbutyl)benzimidazole?
2-methyl-1-(2-methylbutyl)benzimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylbutyl)benzimidazole is sourced from PubChem (CID 2945698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).