1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole

C16H12F4N2O — CID 164670438

IUPAC1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
SMILESCCOc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1
InChIInChI=1S/C16H12F4N2O/c1-2-23-12-6-4-11(5-7-12)22-14-9-10(17)3-8-13(14)21-15(22)16(18,19)20/h3-9H,2H2,1H3
InChIKeyVHTKTECJCWCCIJ-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.58
Rot. Bonds3

About 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole

1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole (PubChem CID 164670438) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
PubChem CID164670438
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole
SMILESCCOc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1
InChIInChI=1S/C16H12F4N2O/c1-2-23-12-6-4-11(5-7-12)22-14-9-10(17)3-8-13(14)21-15(22)16(18,19)20/h3-9H,2H2,1H3
InChIKeyVHTKTECJCWCCIJ-UHFFFAOYSA-N
XLogP4.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1-(4-methylphenyl)-2-(trifluoromethyl)benzimidazole
CID 164670426
1-(4-ethoxyphenyl)-2,6-bis(iodomethyl)benzimidazole
CID 89343171
2-(1,1,2,2,3,3,3-heptafluoropropyl)-6-methoxy-1-(4-methoxyphenyl)benzimidazole
CID 10740892
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
CID 83450606
N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-difluorobenzamide
CID 24751085
6-ethoxy-3-fluoroquinoline
CID 90101959
2-(4-ethoxyphenyl)-4-fluoropyridine
CID 102824424
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
CID 123463550
4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole (CID 164670438) is 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole is CCOc1ccc(-n2c(C(F)(F)F)nc3ccc(F)cc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole?
The InChIKey is VHTKTECJCWCCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N2O/c1-2-23-12-6-4-11(5-7-12)22-14-9-10(17)3-8-13(14)21-15(22)16(18,19)20/h3-9H,2H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole?
1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole has a molecular weight of 324.28 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-6-fluoro-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 164670438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).