2-(difluoromethyl)-2-methylbenzimidazole

C9H8F2N2 — CID 173118190

IUPAC2-(difluoromethyl)-2-methylbenzimidazole
SMILESCC1(C(F)F)N=c2ccccc2=N1
InChIInChI=1S/C9H8F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8H,1H3
InChIKeyHMOSJCMDXBPGKN-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.92
Rot. Bonds1

About 2-(difluoromethyl)-2-methylbenzimidazole

2-(difluoromethyl)-2-methylbenzimidazole (PubChem CID 173118190) has the molecular formula C9H8F2N2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methylbenzimidazole
PubChem CID173118190
Molecular FormulaC9H8F2N2
Molecular Weight182.17 g/mol
Exact Mass182.07
IUPAC Name2-(difluoromethyl)-2-methylbenzimidazole
SMILESCC1(C(F)F)N=c2ccccc2=N1
InChIInChI=1S/C9H8F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8H,1H3
InChIKeyHMOSJCMDXBPGKN-UHFFFAOYSA-N
XLogP0.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethyl)-2-methylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methylbenzimidazole?
The IUPAC name of 2-(difluoromethyl)-2-methylbenzimidazole (CID 173118190) is 2-(difluoromethyl)-2-methylbenzimidazole.
What is the SMILES notation for 2-(difluoromethyl)-2-methylbenzimidazole?
The canonical SMILES for 2-(difluoromethyl)-2-methylbenzimidazole is CC1(C(F)F)N=c2ccccc2=N1.
What is the InChIKey of 2-(difluoromethyl)-2-methylbenzimidazole?
The InChIKey is HMOSJCMDXBPGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2/c1-9(8(10)11)12-6-4-2-3-5-7(6)13-9/h2-5,8H,1H3.
What are the key properties of 2-(difluoromethyl)-2-methylbenzimidazole?
2-(difluoromethyl)-2-methylbenzimidazole has a molecular weight of 182.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methylbenzimidazole is sourced from PubChem (CID 173118190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).