6-methyl-1H-benzimidazole

C8H8N2 — CID 11979

IUPAC6-methyl-1H-benzimidazole
SMILESCc1ccc2nc[nH]c2c1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKeyRWXZXCZBMQPOBF-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.87
Rot. Bonds

About 6-methyl-1H-benzimidazole

6-methyl-1H-benzimidazole (PubChem CID 11979) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-1H-benzimidazole
PubChem CID11979
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name6-methyl-1H-benzimidazole
SMILESCc1ccc2nc[nH]c2c1
InChIInChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
InChIKeyRWXZXCZBMQPOBF-UHFFFAOYSA-N
XLogP1.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-benzimidazole?
The IUPAC name of 6-methyl-1H-benzimidazole (CID 11979) is 6-methyl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-1H-benzimidazole?
The canonical SMILES for 6-methyl-1H-benzimidazole is Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-methyl-1H-benzimidazole?
The InChIKey is RWXZXCZBMQPOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10).
What are the key properties of 6-methyl-1H-benzimidazole?
6-methyl-1H-benzimidazole has a molecular weight of 132.17 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-benzimidazole is sourced from PubChem (CID 11979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).