N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C16H12F4N4 — CID 47983158

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1cc(CNc2ncccc2C(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C16H12F4N4/c17-13-8-11(3-4-14(13)24-7-6-21-10-24)9-23-15-12(16(18,19)20)2-1-5-22-15/h1-8,10H,9H2,(H,22,23)
InChIKeyFXQMENBDICEVEI-UHFFFAOYSA-N
MW336.29 g/mol
LogP4.04
Rot. Bonds4

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 47983158) has the molecular formula C16H12F4N4 and a molecular weight of 336.29 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID47983158
Molecular FormulaC16H12F4N4
Molecular Weight336.29 g/mol
Exact Mass336.10
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFc1cc(CNc2ncccc2C(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C16H12F4N4/c17-13-8-11(3-4-14(13)24-7-6-21-10-24)9-23-15-12(16(18,19)20)2-1-5-22-15/h1-8,10H,9H2,(H,22,23)
InChIKeyFXQMENBDICEVEI-UHFFFAOYSA-N
XLogP4.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-(furan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 115620858
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763
2-[3-[[(3-fluoro-4-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenoxy]acetamide
CID 136529496
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
[4-imidazol-1-yl-3-(trifluoromethyl)phenyl]methanamine
CID 66633522
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 47983158) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is Fc1cc(CNc2ncccc2C(F)(F)F)ccc1-n1ccnc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is FXQMENBDICEVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4/c17-13-8-11(3-4-14(13)24-7-6-21-10-24)9-23-15-12(16(18,19)20)2-1-5-22-15/h1-8,10H,9H2,(H,22,23).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 336.29 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 47983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).