7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole

C9H5ClF4N2 — CID 54058585

IUPAC7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(F)cc(Cl)c21
InChIInChI=1S/C9H5ClF4N2/c1-16-7-5(10)2-4(11)3-6(7)15-8(16)9(12,13)14/h2-3H,1H3
InChIKeyLYAHRTSQLUJLMX-UHFFFAOYSA-N
MW252.60 g/mol
LogP3.38
Rot. Bonds

About 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole

7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 54058585) has the molecular formula C9H5ClF4N2 and a molecular weight of 252.60 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID54058585
Molecular FormulaC9H5ClF4N2
Molecular Weight252.60 g/mol
Exact Mass252.01
IUPAC Name7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(F)cc(Cl)c21
InChIInChI=1S/C9H5ClF4N2/c1-16-7-5(10)2-4(11)3-6(7)15-8(16)9(12,13)14/h2-3H,1H3
InChIKeyLYAHRTSQLUJLMX-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.60
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
4,5,6,7-tetrachloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 118612414
3-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 84680783
7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
CID 84621199
5-iodo-3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 141383836
4-[3-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335893
4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole
CID 154263597
2-(5-chloro-1,7-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84629021
3-methyl-2-(trifluoromethyl)benzimidazole-5-carbonitrile
CID 68973116
methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate
CID 162576359
5-chloro-2,3-dimethyl-6-(trifluoromethyl)benzimidazol-4-amine
CID 14281418
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole (CID 54058585) is 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2cc(F)cc(Cl)c21.
What is the InChIKey of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is LYAHRTSQLUJLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF4N2/c1-16-7-5(10)2-4(11)3-6(7)15-8(16)9(12,13)14/h2-3H,1H3.
What are the key properties of 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole?
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 252.60 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 54058585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).