3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine

C12H14FN3O — CID 65096261

IUPAC3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
SMILESCCn1cnc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C12H14FN3O/c1-3-16-7-15-11(12(16)14)8-4-5-10(17-2)9(13)6-8/h4-7H,3,14H2,1-2H3
InChIKeyGTUYQYAKRGTWAU-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.30
Rot. Bonds3

About 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine

3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine (PubChem CID 65096261) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
PubChem CID65096261
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
SMILESCCn1cnc(-c2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C12H14FN3O/c1-3-16-7-15-11(12(16)14)8-4-5-10(17-2)9(13)6-8/h4-7H,3,14H2,1-2H3
InChIKeyGTUYQYAKRGTWAU-UHFFFAOYSA-N
XLogP2.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
CID 62017910
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
CID 62131367
5-(5-bromo-2-methoxyphenyl)-3-ethylimidazol-4-amine
CID 62018290
5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62019427
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
CID 65022689
2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096311
5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017750
5-(3-fluoro-4-methylphenyl)-3-prop-2-ynylimidazol-4-amine
CID 63644498
5-(4-methoxy-3-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62226555

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine (CID 65096261) is 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine is CCn1cnc(-c2ccc(OC)c(F)c2)c1N.
What is the InChIKey of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
The InChIKey is GTUYQYAKRGTWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-16-7-15-11(12(16)14)8-4-5-10(17-2)9(13)6-8/h4-7H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine?
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine has a molecular weight of 235.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 65096261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).