5,6-dimethyl-1H-benzimidazole

C9H10N2 — CID 675

IUPAC5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc[nH]c2cc1C
InChIInChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKeyLJUQGASMPRMWIW-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.18
Rot. Bonds

About 5,6-dimethyl-1H-benzimidazole

5,6-dimethyl-1H-benzimidazole (PubChem CID 675) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1H-benzimidazole
PubChem CID675
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc[nH]c2cc1C
InChIInChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
InChIKeyLJUQGASMPRMWIW-UHFFFAOYSA-N
XLogP2.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-1H-benzimidazole (CID 675) is 5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-1H-benzimidazole is Cc1cc2nc[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-1H-benzimidazole?
The InChIKey is LJUQGASMPRMWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5,6-dimethyl-1H-benzimidazole?
5,6-dimethyl-1H-benzimidazole has a molecular weight of 146.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).