2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine

C14H18FN3O — CID 116879061

IUPAC2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ncc(-c2cc(F)ccc2OC)[nH]1
InChIInChI=1S/C14H18FN3O/c1-14(2,16-3)13-17-8-11(18-13)10-7-9(15)5-6-12(10)19-4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyXJFBRNVXWNNVES-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.68
Rot. Bonds4

About 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine

2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine (PubChem CID 116879061) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
PubChem CID116879061
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ncc(-c2cc(F)ccc2OC)[nH]1
InChIInChI=1S/C14H18FN3O/c1-14(2,16-3)13-17-8-11(18-13)10-7-9(15)5-6-12(10)19-4/h5-8,16H,1-4H3,(H,17,18)
InChIKeyXJFBRNVXWNNVES-UHFFFAOYSA-N
XLogP2.68
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884083
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
5-(5-fluoro-2-methoxyphenyl)-1H-imidazole-2-carboxamide
CID 116883943
1-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]ethanone
CID 116880628
2-[5-(2,5-dimethoxyphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459802
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65457746
3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 116877168
2-(5-fluoro-2-methoxyphenyl)-1H-indole
CID 82049249
2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65459124
5-(5-chloro-2-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879411

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine (CID 116879061) is 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1ncc(-c2cc(F)ccc2OC)[nH]1.
What is the InChIKey of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
The InChIKey is XJFBRNVXWNNVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-14(2,16-3)13-17-8-11(18-13)10-7-9(15)5-6-12(10)19-4/h5-8,16H,1-4H3,(H,17,18).
What are the key properties of 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine?
2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116879061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).