2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole

C9H6ClF3N2 — CID 156865270

IUPAC2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(Cl)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H6ClF3N2/c1-15-7-4-5(9(11,12)13)2-3-6(7)14-8(15)10/h2-4H,1H3
InChIKeyIDMHEKYISWDCMT-UHFFFAOYSA-N
MW234.61 g/mol
LogP3.25
Rot. Bonds

About 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole

2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole (PubChem CID 156865270) has the molecular formula C9H6ClF3N2 and a molecular weight of 234.61 g/mol. Its IUPAC name is 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
PubChem CID156865270
Molecular FormulaC9H6ClF3N2
Molecular Weight234.61 g/mol
Exact Mass234.02
IUPAC Name2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCn1c(Cl)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C9H6ClF3N2/c1-15-7-4-5(9(11,12)13)2-3-6(7)14-8(15)10/h2-4H,1H3
InChIKeyIDMHEKYISWDCMT-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.61
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
5-methyl-3-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-2H-1,3,4-oxadiazole
CID 138692158
6-chloro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 10331616
5-methyl-N-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1,3,4-oxadiazol-2-amine
CID 134297226
ethane;9-methyl-2,7-bis(trifluoromethyl)carbazole
CID 142508322
6-tert-butyl-1,2-dimethylbenzimidazole
CID 70331345
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
[1-propan-2-yl-6-(trifluoromethyl)benzimidazol-2-yl]hydrazine
CID 115059612
1-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
1-propyl-6-(trifluoromethyl)benzotriazole
CID 134298697
4-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71059782
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole (CID 156865270) is 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole is Cn1c(Cl)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole?
The InChIKey is IDMHEKYISWDCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3N2/c1-15-7-4-5(9(11,12)13)2-3-6(7)14-8(15)10/h2-4H,1H3.
What are the key properties of 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole?
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole has a molecular weight of 234.61 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 156865270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).