1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole

C14H11F3N2S — CID 46310424

IUPAC1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCCn1c(-c2cccs2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H11F3N2S/c1-2-19-11-6-5-9(14(15,16)17)8-10(11)18-13(19)12-4-3-7-20-12/h3-8H,2H2,1H3
InChIKeyRRPVTCISNCQYNE-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.80
Rot. Bonds2

About 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole

1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 46310424) has the molecular formula C14H11F3N2S and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID46310424
Molecular FormulaC14H11F3N2S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCCn1c(-c2cccs2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H11F3N2S/c1-2-19-11-6-5-9(14(15,16)17)8-10(11)18-13(19)12-4-3-7-20-12/h3-8H,2H2,1H3
InChIKeyRRPVTCISNCQYNE-UHFFFAOYSA-N
XLogP4.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310175
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309439
2-(furan-2-yl)-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310701
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
CID 615219
1-benzyl-2-(4-methylphenyl)-5-(trifluoromethyl)benzimidazole
CID 46310977
3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
CID 10880955
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 46308134
1-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502017
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
2-butan-2-yl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole (CID 46310424) is 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole is CCn1c(-c2cccs2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is RRPVTCISNCQYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2S/c1-2-19-11-6-5-9(14(15,16)17)8-10(11)18-13(19)12-4-3-7-20-12/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole?
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 296.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 46310424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).