2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine

C17H15F4N3 — CID 134084513

IUPAC2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine
SMILESFc1cccc(CCNCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C17H15F4N3/c18-13-3-1-2-11(8-13)6-7-22-10-16-23-14-5-4-12(17(19,20)21)9-15(14)24-16/h1-5,8-9,22H,6-7,10H2,(H,23,24)
InChIKeyJLQQXNIJQOSIGW-UHFFFAOYSA-N
MW337.32 g/mol
LogP4.05
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine

2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine (PubChem CID 134084513) has the molecular formula C17H15F4N3 and a molecular weight of 337.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine
PubChem CID134084513
Molecular FormulaC17H15F4N3
Molecular Weight337.32 g/mol
Exact Mass337.12
IUPAC Name2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine
SMILESFc1cccc(CCNCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C17H15F4N3/c18-13-3-1-2-11(8-13)6-7-22-10-16-23-14-5-4-12(17(19,20)21)9-15(14)24-16/h1-5,8-9,22H,6-7,10H2,(H,23,24)
InChIKeyJLQQXNIJQOSIGW-UHFFFAOYSA-N
XLogP4.05
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 81455928
3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
CID 134084462
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43566240
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524498
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456132
2-(phenylsulfanylmethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456026
1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine (CID 134084513) is 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine is Fc1cccc(CCNCc2nc3ccc(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine?
The InChIKey is JLQQXNIJQOSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N3/c18-13-3-1-2-11(8-13)6-7-22-10-16-23-14-5-4-12(17(19,20)21)9-15(14)24-16/h1-5,8-9,22H,6-7,10H2,(H,23,24).
What are the key properties of 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine?
2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine has a molecular weight of 337.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 134084513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).