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

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

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

Launch Full Analysis

Related Compounds

2-methyl-4,6-bis(trifluoromethyl)-6,7-dihydro-1H-benzimidazole
CID 88870246
6-fluoro-2-methyl-5-propan-2-yl-6,7-dihydro-1H-benzimidazole
CID 123357032
6-Fluoro-2,6-dimethyl-1,7-dihydrobenzimidazole
CID 123456855
6-fluoro-2,4-dimethyl-6,7-dihydro-1H-benzimidazole
CID 123870600
6-Chloro-2-methyl-5-(trifluoromethyl)-3,4-dihydrocyclohepta[d]imidazole
CID 142985985
5-Chloro-2-methyl-7-(trifluoromethyl)-1,8-dihydrocyclohepta[d]imidazole
CID 142985992
6,7-difluoro-2-methyl-6,7-dihydro-1H-benzimidazole
CID 149388956
6-Chloro-2-(3-methylbutan-2-yl)-5-(trifluoromethyl)-1,5a,6,6a-tetrahydrocyclopropa[e]benzimidazole
CID 163889838
CID 143474743
CID 143474743
4-fluoro-2-methyl-6,7-dihydro-1H-benzimidazole
CID 144710577
4-Chloro-2,6-dimethyl-6-(trifluoromethyl)-1,7-dihydrobenzimidazole
CID 147366901
2-propan-2-yl-6,7-dihydro-1H-benzimidazole
CID 69083939

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).