1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole

C12H10F2N4 — CID 113223335

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
SMILESFC(F)n1ccnc1Cn1cnc2ccccc21
InChIInChI=1S/C12H10F2N4/c13-12(14)18-6-5-15-11(18)7-17-8-16-9-3-1-2-4-10(9)17/h1-6,8,12H,7H2
InChIKeyGXIYYRKOQIAQCM-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.68
Rot. Bonds3

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole (PubChem CID 113223335) has the molecular formula C12H10F2N4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
PubChem CID113223335
Molecular FormulaC12H10F2N4
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
SMILESFC(F)n1ccnc1Cn1cnc2ccccc21
InChIInChI=1S/C12H10F2N4/c13-12(14)18-6-5-15-11(18)7-17-8-16-9-3-1-2-4-10(9)17/h1-6,8,12H,7H2
InChIKeyGXIYYRKOQIAQCM-UHFFFAOYSA-N
XLogP2.68
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole (CID 113223335) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole is FC(F)n1ccnc1Cn1cnc2ccccc21.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole?
The InChIKey is GXIYYRKOQIAQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4/c13-12(14)18-6-5-15-11(18)7-17-8-16-9-3-1-2-4-10(9)17/h1-6,8,12H,7H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole has a molecular weight of 248.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole is sourced from PubChem (CID 113223335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).