5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole

C11H12ClF3N2 — CID 155183804

IUPAC5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole
SMILESCCc1nc2c([nH]1)C(C)C(F)(C(F)F)C(Cl)=C2
InChIInChI=1S/C11H12ClF3N2/c1-3-8-16-6-4-7(12)11(15,10(13)14)5(2)9(6)17-8/h4-5,10H,3H2,1-2H3,(H,16,17)
InChIKeyYIYAMWQMIBVSGO-UHFFFAOYSA-N
MW264.68 g/mol
LogP3.64
Rot. Bonds2

About 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole

5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole (PubChem CID 155183804) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole.

Molecular Properties

Compound Name5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole
PubChem CID155183804
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole
SMILESCCc1nc2c([nH]1)C(C)C(F)(C(F)F)C(Cl)=C2
InChIInChI=1S/C11H12ClF3N2/c1-3-8-16-6-4-7(12)11(15,10(13)14)5(2)9(6)17-8/h4-5,10H,3H2,1-2H3,(H,16,17)
InChIKeyYIYAMWQMIBVSGO-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole?
The IUPAC name of 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole (CID 155183804) is 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole.
What is the SMILES notation for 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole?
The canonical SMILES for 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole is CCc1nc2c([nH]1)C(C)C(F)(C(F)F)C(Cl)=C2.
What is the InChIKey of 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole?
The InChIKey is YIYAMWQMIBVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c1-3-8-16-6-4-7(12)11(15,10(13)14)5(2)9(6)17-8/h4-5,10H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole?
5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole has a molecular weight of 264.68 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(difluoromethyl)-2-ethyl-6-fluoro-7-methyl-1,7-dihydrobenzimidazole is sourced from PubChem (CID 155183804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).