1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine

C16H14F3N3 — CID 82068309

IUPAC1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
SMILESNc1cccc2c1nc(C(F)(F)F)n2CCc1ccccc1
InChIInChI=1S/C16H14F3N3/c17-16(18,19)15-21-14-12(20)7-4-8-13(14)22(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,20H2
InChIKeyGGIRPTOPTIDFID-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.88
Rot. Bonds3

About 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine

1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine (PubChem CID 82068309) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
PubChem CID82068309
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC Name1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
SMILESNc1cccc2c1nc(C(F)(F)F)n2CCc1ccccc1
InChIInChI=1S/C16H14F3N3/c17-16(18,19)15-21-14-12(20)7-4-8-13(14)22(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,20H2
InChIKeyGGIRPTOPTIDFID-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
2-(2-methylpropyl)-1-(2-phenylethyl)benzimidazol-4-amine
CID 82067691
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
2-(4-amino-2-benzylbenzimidazol-1-yl)ethanol
CID 82068013
1-benzyl-2-propylbenzimidazol-4-amine
CID 82067310
1-(2-phenylethyl)-2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64859077
2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
CID 67636618
2-[4-[1-benzyl-2-(trifluoromethyl)benzimidazol-4-yl]piperazin-1-yl]ethanol
CID 139430862
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
1-[1-(2-hydroxyethyl)-2-(trifluoromethyl)benzimidazol-4-yl]ethanone
CID 134963333
1-phenyl-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]methanesulfonamide
CID 53063314
1-(2-ethoxyethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115543142

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine?
The IUPAC name of 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine (CID 82068309) is 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine.
What is the SMILES notation for 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine?
The canonical SMILES for 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine is Nc1cccc2c1nc(C(F)(F)F)n2CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine?
The InChIKey is GGIRPTOPTIDFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c17-16(18,19)15-21-14-12(20)7-4-8-13(14)22(15)10-9-11-5-2-1-3-6-11/h1-8H,9-10,20H2.
What are the key properties of 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine?
1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine has a molecular weight of 305.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine is sourced from PubChem (CID 82068309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).