5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole

C15H18ClF3N2 — CID 167327284

IUPAC5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCCc1nc2c(Cl)c(C(C)(C)C)c(C(F)(F)F)cc2n1C
InChIInChI=1S/C15H18ClF3N2/c1-6-10-20-13-9(21(10)5)7-8(15(17,18)19)11(12(13)16)14(2,3)4/h7H,6H2,1-5H3
InChIKeyLUXVQBLOQFZUMP-UHFFFAOYSA-N
MW318.77 g/mol
LogP5.11
Rot. Bonds1

About 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole

5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole (PubChem CID 167327284) has the molecular formula C15H18ClF3N2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole
PubChem CID167327284
Molecular FormulaC15H18ClF3N2
Molecular Weight318.77 g/mol
Exact Mass318.11
IUPAC Name5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole
SMILESCCc1nc2c(Cl)c(C(C)(C)C)c(C(F)(F)F)cc2n1C
InChIInChI=1S/C15H18ClF3N2/c1-6-10-20-13-9(21(10)5)7-8(15(17,18)19)11(12(13)16)14(2,3)4/h7H,6H2,1-5H3
InChIKeyLUXVQBLOQFZUMP-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.77
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole (CID 167327284) is 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole is CCc1nc2c(Cl)c(C(C)(C)C)c(C(F)(F)F)cc2n1C.
What is the InChIKey of 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole?
The InChIKey is LUXVQBLOQFZUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2/c1-6-10-20-13-9(21(10)5)7-8(15(17,18)19)11(12(13)16)14(2,3)4/h7H,6H2,1-5H3.
What are the key properties of 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole?
5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole has a molecular weight of 318.77 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-2-ethyl-1-methyl-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 167327284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).