5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole

C9H5Cl2F3N2 — CID 10355706

IUPAC5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H5Cl2F3N2/c1-16-7-3-5(11)4(10)2-6(7)15-8(16)9(12,13)14/h2-3H,1H3
InChIKeySYPXDFDMTRSOGQ-UHFFFAOYSA-N
MW269.05 g/mol
LogP3.90
Rot. Bonds

About 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole

5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole (PubChem CID 10355706) has the molecular formula C9H5Cl2F3N2 and a molecular weight of 269.05 g/mol. Its IUPAC name is 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole
PubChem CID10355706
Molecular FormulaC9H5Cl2F3N2
Molecular Weight269.05 g/mol
Exact Mass267.98
IUPAC Name5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole
SMILESCn1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H5Cl2F3N2/c1-16-7-3-5(11)4(10)2-6(7)15-8(16)9(12,13)14/h2-3H,1H3
InChIKeySYPXDFDMTRSOGQ-UHFFFAOYSA-N
XLogP3.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.05
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole (CID 10355706) is 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole is Cn1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is SYPXDFDMTRSOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N2/c1-16-7-3-5(11)4(10)2-6(7)15-8(16)9(12,13)14/h2-3H,1H3.
What are the key properties of 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole?
5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 269.05 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-methyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 10355706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).