4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole

C10H6Cl3F3N2 — CID 154263597

IUPAC4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole
SMILESCCn1c(C(F)(F)F)nc2c(Cl)c(Cl)cc(Cl)c21
InChIInChI=1S/C10H6Cl3F3N2/c1-2-18-8-5(12)3-4(11)6(13)7(8)17-9(18)10(14,15)16/h3H,2H2,1H3
InChIKeyIKLTUMATXSJRDW-UHFFFAOYSA-N
MW317.53 g/mol
LogP5.04
Rot. Bonds1

About 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole

4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole (PubChem CID 154263597) has the molecular formula C10H6Cl3F3N2 and a molecular weight of 317.53 g/mol. Its IUPAC name is 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole
PubChem CID154263597
Molecular FormulaC10H6Cl3F3N2
Molecular Weight317.53 g/mol
Exact Mass315.95
IUPAC Name4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole
SMILESCCn1c(C(F)(F)F)nc2c(Cl)c(Cl)cc(Cl)c21
InChIInChI=1S/C10H6Cl3F3N2/c1-2-18-8-5(12)3-4(11)6(13)7(8)17-9(18)10(14,15)16/h3H,2H2,1H3
InChIKeyIKLTUMATXSJRDW-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.53
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole (CID 154263597) is 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole is CCn1c(C(F)(F)F)nc2c(Cl)c(Cl)cc(Cl)c21.
What is the InChIKey of 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is IKLTUMATXSJRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3F3N2/c1-2-18-8-5(12)3-4(11)6(13)7(8)17-9(18)10(14,15)16/h3H,2H2,1H3.
What are the key properties of 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole?
4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 317.53 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-1-ethyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 154263597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).