1-(difluoromethyl)-5-methylbenzimidazole;ethane

C11H14F2N2 — CID 162381438

IUPAC1-(difluoromethyl)-5-methylbenzimidazole;ethane
SMILESCC.Cc1ccc2c(c1)ncn2C(F)F
InChIInChI=1S/C9H8F2N2.C2H6/c1-6-2-3-8-7(4-6)12-5-13(8)9(10)11;1-2/h2-5,9H,1H3;1-2H3
InChIKeyIHJAKYCXKLGOLO-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.77
Rot. Bonds1

About 1-(difluoromethyl)-5-methylbenzimidazole;ethane

1-(difluoromethyl)-5-methylbenzimidazole;ethane (PubChem CID 162381438) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methylbenzimidazole;ethane.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methylbenzimidazole;ethane
PubChem CID162381438
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-(difluoromethyl)-5-methylbenzimidazole;ethane
SMILESCC.Cc1ccc2c(c1)ncn2C(F)F
InChIInChI=1S/C9H8F2N2.C2H6/c1-6-2-3-8-7(4-6)12-5-13(8)9(10)11;1-2/h2-5,9H,1H3;1-2H3
InChIKeyIHJAKYCXKLGOLO-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-5-methylbenzimidazole;ethane 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 1-(difluoromethyl)-5-methylbenzimidazole;ethane?
The IUPAC name of 1-(difluoromethyl)-5-methylbenzimidazole;ethane (CID 162381438) is 1-(difluoromethyl)-5-methylbenzimidazole;ethane.
What is the SMILES notation for 1-(difluoromethyl)-5-methylbenzimidazole;ethane?
The canonical SMILES for 1-(difluoromethyl)-5-methylbenzimidazole;ethane is CC.Cc1ccc2c(c1)ncn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methylbenzimidazole;ethane?
The InChIKey is IHJAKYCXKLGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2.C2H6/c1-6-2-3-8-7(4-6)12-5-13(8)9(10)11;1-2/h2-5,9H,1H3;1-2H3.
What are the key properties of 1-(difluoromethyl)-5-methylbenzimidazole;ethane?
1-(difluoromethyl)-5-methylbenzimidazole;ethane has a molecular weight of 212.24 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methylbenzimidazole;ethane is sourced from PubChem (CID 162381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).