1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine

C14H12F3N3S — CID 115502089

IUPAC1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCC(c1ccsc1)n1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H12F3N3S/c1-8(9-4-5-21-7-9)20-12-3-2-10(14(15,16)17)6-11(12)19-13(20)18/h2-8H,1H3,(H2,18,19)
InChIKeyMLUJTOYGUYNCFP-UHFFFAOYSA-N
MW311.33 g/mol
LogP4.31
Rot. Bonds2

About 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine

1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115502089) has the molecular formula C14H12F3N3S and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115502089
Molecular FormulaC14H12F3N3S
Molecular Weight311.33 g/mol
Exact Mass311.07
IUPAC Name1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCC(c1ccsc1)n1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H12F3N3S/c1-8(9-4-5-21-7-9)20-12-3-2-10(14(15,16)17)6-11(12)19-13(20)18/h2-8H,1H3,(H2,18,19)
InChIKeyMLUJTOYGUYNCFP-UHFFFAOYSA-N
XLogP4.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(1-thiophen-3-ylethyl)benzimidazol-2-amine
CID 62843687
1-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502017
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
2-propan-2-yl-1-(1-thiophen-3-ylethyl)benzimidazol-5-amine
CID 62843355
2-tert-butyl-1-propan-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310550
2-(2-chloroethyl)-5-methyl-1-(1-thiophen-3-ylethyl)benzimidazole
CID 62843335
5-chloro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazol-2-amine
CID 61474502
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-3-ylmethyl]hydrazine
CID 102759414
5-chloro-2-(chloromethyl)-6-fluoro-1-(1-thiophen-3-ylethyl)benzimidazole
CID 66112395
N-(1-thiophen-3-ylethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66330449
1-butan-2-yl-2-propyl-5-(trifluoromethyl)benzimidazole
CID 46309881

Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine (CID 115502089) is 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine is CC(c1ccsc1)n1c(N)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is MLUJTOYGUYNCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3S/c1-8(9-4-5-21-7-9)20-12-3-2-10(14(15,16)17)6-11(12)19-13(20)18/h2-8H,1H3,(H2,18,19).
What are the key properties of 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine?
1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 311.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115502089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).