6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole

C15H12ClF3N4 — CID 138622361

IUPAC6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C(F)F)nc2c(F)cc(-c3ccnc(Cl)n3)cc21
InChIInChI=1S/C15H12ClF3N4/c1-7(2)23-11-6-8(10-3-4-20-15(16)21-10)5-9(17)12(11)22-14(23)13(18)19/h3-7,13H,1-2H3
InChIKeyMWQSQZYPUHRJCA-UHFFFAOYSA-N
MW340.74 g/mol
LogP4.80
Rot. Bonds3

About 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole

6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole (PubChem CID 138622361) has the molecular formula C15H12ClF3N4 and a molecular weight of 340.74 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
PubChem CID138622361
Molecular FormulaC15H12ClF3N4
Molecular Weight340.74 g/mol
Exact Mass340.07
IUPAC Name6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C(F)F)nc2c(F)cc(-c3ccnc(Cl)n3)cc21
InChIInChI=1S/C15H12ClF3N4/c1-7(2)23-11-6-8(10-3-4-20-15(16)21-10)5-9(17)12(11)22-14(23)13(18)19/h3-7,13H,1-2H3
InChIKeyMWQSQZYPUHRJCA-UHFFFAOYSA-N
XLogP4.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole 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 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole?
The IUPAC name of 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole (CID 138622361) is 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole is CC(C)n1c(C(F)F)nc2c(F)cc(-c3ccnc(Cl)n3)cc21.
What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole?
The InChIKey is MWQSQZYPUHRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4/c1-7(2)23-11-6-8(10-3-4-20-15(16)21-10)5-9(17)12(11)22-14(23)13(18)19/h3-7,13H,1-2H3.
What are the key properties of 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole?
6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole has a molecular weight of 340.74 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloropyrimidin-4-yl)-2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 138622361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).