2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline

C16H16FN3O — CID 82249804

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2cccc(F)c2C2=NCCN2)cc1
InChIInChI=1S/C16H16FN3O/c1-21-12-7-5-11(6-8-12)20-14-4-2-3-13(17)15(14)16-18-9-10-19-16/h2-8,20H,9-10H2,1H3,(H,18,19)
InChIKeyFQLVQRIQGTYRIK-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.93
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline

2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline (PubChem CID 82249804) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
PubChem CID82249804
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(Nc2cccc(F)c2C2=NCCN2)cc1
InChIInChI=1S/C16H16FN3O/c1-21-12-7-5-11(6-8-12)20-14-4-2-3-13(17)15(14)16-18-9-10-19-16/h2-8,20H,9-10H2,1H3,(H,18,19)
InChIKeyFQLVQRIQGTYRIK-UHFFFAOYSA-N
XLogP2.93
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82252187
2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-(2-fluoro-6-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82241523
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
N-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400318
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
3-(4,5-dihydro-1H-imidazol-2-yl)-N-(4-fluorophenyl)aniline
CID 175534747
N-(4-methoxyphenyl)-2-methylsulfanylpyridin-3-amine
CID 53355224
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
N-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]-N',N'-dimethylpropane-1,3-diamine
CID 82248809
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
CID 12774555
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline (CID 82249804) is 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline is COc1ccc(Nc2cccc(F)c2C2=NCCN2)cc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline?
The InChIKey is FQLVQRIQGTYRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-21-12-7-5-11(6-8-12)20-14-4-2-3-13(17)15(14)16-18-9-10-19-16/h2-8,20H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline?
2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline has a molecular weight of 285.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluoro-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 82249804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).