5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine

C17H14F4N4 — CID 44548843

IUPAC5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine
SMILESFc1cccc(C(F)(F)F)c1-c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C17H14F4N4/c18-14-3-1-2-13(17(19,20)21)16(14)11-4-5-15(24-8-11)23-7-6-12-9-22-10-25-12/h1-5,8-10H,6-7H2,(H,22,25)(H,23,24)
InChIKeyVKBYWPLPIYZZAP-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.28
Rot. Bonds5

About 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine

5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 44548843) has the molecular formula C17H14F4N4 and a molecular weight of 350.32 g/mol. Its IUPAC name is 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine
PubChem CID44548843
Molecular FormulaC17H14F4N4
Molecular Weight350.32 g/mol
Exact Mass350.12
IUPAC Name5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine
SMILESFc1cccc(C(F)(F)F)c1-c1ccc(NCCc2cnc[nH]2)nc1
InChIInChI=1S/C17H14F4N4/c18-14-3-1-2-13(17(19,20)21)16(14)11-4-5-15(24-8-11)23-7-6-12-9-22-10-25-12/h1-5,8-10H,6-7H2,(H,22,25)(H,23,24)
InChIKeyVKBYWPLPIYZZAP-UHFFFAOYSA-N
XLogP4.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
N-[2-(1H-imidazol-5-yl)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 65232549
4-[4-[[[5-[2-fluoro-6-(trifluoromethyl)phenyl]-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]benzoic acid
CID 44548685
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[4-[2-(1H-imidazol-5-yl)ethylamino]-6-methylpyrimidin-2-yl]urea
CID 162299179
N-[2-(1H-imidazol-5-yl)ethyl]pyridazin-3-amine
CID 65231842
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
4-bromo-2-[4-(2,3-difluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
CID 137307230
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
6-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pyrimidin-4-amine
CID 106195023
N-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 79175854

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine (CID 44548843) is 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine is Fc1cccc(C(F)(F)F)c1-c1ccc(NCCc2cnc[nH]2)nc1.
What is the InChIKey of 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is VKBYWPLPIYZZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F4N4/c18-14-3-1-2-13(17(19,20)21)16(14)11-4-5-15(24-8-11)23-7-6-12-9-22-10-25-12/h1-5,8-10H,6-7H2,(H,22,25)(H,23,24).
What are the key properties of 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine?
5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 350.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-(trifluoromethyl)phenyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 44548843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).