2,5-dimethyl-3aH-benzimidazole

C9H10N2 — CID 90463802

IUPAC2,5-dimethyl-3aH-benzimidazole
SMILESCC1=CC2N=C(C)N=C2C=C1
InChIInChI=1S/C9H10N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5,9H,1-2H3
InChIKeyARRAYVKIVYFEIA-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.74
Rot. Bonds

About 2,5-dimethyl-3aH-benzimidazole

2,5-dimethyl-3aH-benzimidazole (PubChem CID 90463802) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,5-dimethyl-3aH-benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-3aH-benzimidazole
PubChem CID90463802
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,5-dimethyl-3aH-benzimidazole
SMILESCC1=CC2N=C(C)N=C2C=C1
InChIInChI=1S/C9H10N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5,9H,1-2H3
InChIKeyARRAYVKIVYFEIA-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3aH-benzimidazole?
The IUPAC name of 2,5-dimethyl-3aH-benzimidazole (CID 90463802) is 2,5-dimethyl-3aH-benzimidazole.
What is the SMILES notation for 2,5-dimethyl-3aH-benzimidazole?
The canonical SMILES for 2,5-dimethyl-3aH-benzimidazole is CC1=CC2N=C(C)N=C2C=C1.
What is the InChIKey of 2,5-dimethyl-3aH-benzimidazole?
The InChIKey is ARRAYVKIVYFEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-6-3-4-8-9(5-6)11-7(2)10-8/h3-5,9H,1-2H3.
What are the key properties of 2,5-dimethyl-3aH-benzimidazole?
2,5-dimethyl-3aH-benzimidazole has a molecular weight of 146.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3aH-benzimidazole is sourced from PubChem (CID 90463802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).