5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole

C13H16N2 — CID 962379

IUPAC5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H16N2/c1-9(2)7-15-8-14-12-5-10(3)11(4)6-13(12)15/h5-6,8H,1,7H2,2-4H3
InChIKeyOCRQINWSZZITFH-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.23
Rot. Bonds2

About 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole

5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole (PubChem CID 962379) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole
PubChem CID962379
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1cnc2cc(C)c(C)cc21
InChIInChI=1S/C13H16N2/c1-9(2)7-15-8-14-12-5-10(3)11(4)6-13(12)15/h5-6,8H,1,7H2,2-4H3
InChIKeyOCRQINWSZZITFH-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole?
The IUPAC name of 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole (CID 962379) is 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole is C=C(C)Cn1cnc2cc(C)c(C)cc21.
What is the InChIKey of 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole?
The InChIKey is OCRQINWSZZITFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-9(2)7-15-8-14-12-5-10(3)11(4)6-13(12)15/h5-6,8H,1,7H2,2-4H3.
What are the key properties of 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole?
5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole has a molecular weight of 200.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(2-methylprop-2-enyl)benzimidazole is sourced from PubChem (CID 962379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).