3-methyl-3aH-benzimidazole

C8H8N2 — CID 152749362

IUPAC3-methyl-3aH-benzimidazole
SMILESCN1C=NC2=CC=C=CC21
InChIInChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2,4-6,8H,1H3
InChIKeyCCYJSLTYKFHGNW-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.94
Rot. Bonds

About 3-methyl-3aH-benzimidazole

3-methyl-3aH-benzimidazole (PubChem CID 152749362) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3-methyl-3aH-benzimidazole.

Molecular Properties

Compound Name3-methyl-3aH-benzimidazole
PubChem CID152749362
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3-methyl-3aH-benzimidazole
SMILESCN1C=NC2=CC=C=CC21
InChIInChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2,4-6,8H,1H3
InChIKeyCCYJSLTYKFHGNW-UHFFFAOYSA-N
XLogP0.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3aH-benzimidazole?
The IUPAC name of 3-methyl-3aH-benzimidazole (CID 152749362) is 3-methyl-3aH-benzimidazole.
What is the SMILES notation for 3-methyl-3aH-benzimidazole?
The canonical SMILES for 3-methyl-3aH-benzimidazole is CN1C=NC2=CC=C=CC21.
What is the InChIKey of 3-methyl-3aH-benzimidazole?
The InChIKey is CCYJSLTYKFHGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-10-6-9-7-4-2-3-5-8(7)10/h2,4-6,8H,1H3.
What are the key properties of 3-methyl-3aH-benzimidazole?
3-methyl-3aH-benzimidazole has a molecular weight of 132.17 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3aH-benzimidazole is sourced from PubChem (CID 152749362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).