4,7-dimethyl-2H-benzimidazole

C9H10N2 — CID 20812386

IUPAC4,7-dimethyl-2H-benzimidazole
SMILESCc1ccc(C)c2c1=NCN=2
InChIInChI=1S/C9H10N2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-4H,5H2,1-2H3
InChIKeyKUHAXGFPFZQALF-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.51
Rot. Bonds

About 4,7-dimethyl-2H-benzimidazole

4,7-dimethyl-2H-benzimidazole (PubChem CID 20812386) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,7-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4,7-dimethyl-2H-benzimidazole
PubChem CID20812386
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,7-dimethyl-2H-benzimidazole
SMILESCc1ccc(C)c2c1=NCN=2
InChIInChI=1S/C9H10N2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-4H,5H2,1-2H3
InChIKeyKUHAXGFPFZQALF-UHFFFAOYSA-N
XLogP0.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2H-benzimidazole?
The IUPAC name of 4,7-dimethyl-2H-benzimidazole (CID 20812386) is 4,7-dimethyl-2H-benzimidazole.
What is the SMILES notation for 4,7-dimethyl-2H-benzimidazole?
The canonical SMILES for 4,7-dimethyl-2H-benzimidazole is Cc1ccc(C)c2c1=NCN=2.
What is the InChIKey of 4,7-dimethyl-2H-benzimidazole?
The InChIKey is KUHAXGFPFZQALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-3-4-7(2)9-8(6)10-5-11-9/h3-4H,5H2,1-2H3.
What are the key properties of 4,7-dimethyl-2H-benzimidazole?
4,7-dimethyl-2H-benzimidazole has a molecular weight of 146.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2H-benzimidazole is sourced from PubChem (CID 20812386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).