(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

C17H15F4N3 — CID 54757558

IUPAC(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C17H15F4N3/c1-10(22)16-23-14-8-12(17(19,20)21)5-6-15(14)24(16)9-11-3-2-4-13(18)7-11/h2-8,10H,9,22H2,1H3/t10-/m0/s1
InChIKeyYTGZLSKWVMTXBW-JTQLQIEISA-N
MW337.32 g/mol
LogP4.26
Rot. Bonds3

About (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine

(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (PubChem CID 54757558) has the molecular formula C17H15F4N3 and a molecular weight of 337.32 g/mol. Its IUPAC name is (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
PubChem CID54757558
Molecular FormulaC17H15F4N3
Molecular Weight337.32 g/mol
Exact Mass337.12
IUPAC Name(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
SMILESC[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C17H15F4N3/c1-10(22)16-23-14-8-12(17(19,20)21)5-6-15(14)24(16)9-11-3-2-4-13(18)7-11/h2-8,10H,9,22H2,1H3/t10-/m0/s1
InChIKeyYTGZLSKWVMTXBW-JTQLQIEISA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine (CID 54757558) is (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is YTGZLSKWVMTXBW-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F4N3/c1-10(22)16-23-14-8-12(17(19,20)21)5-6-15(14)24(16)9-11-3-2-4-13(18)7-11/h2-8,10H,9,22H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine?
(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 337.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 54757558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).