5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine

C12H13F2N3 — CID 113328551

IUPAC5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccc(C(F)F)cc2)c1N
InChIInChI=1S/C12H13F2N3/c1-2-17-7-16-10(12(17)15)8-3-5-9(6-4-8)11(13)14/h3-7,11H,2,15H2,1H3
InChIKeySQUFLRVLLWITKP-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.09
Rot. Bonds3

About 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine

5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine (PubChem CID 113328551) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine
PubChem CID113328551
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccc(C(F)F)cc2)c1N
InChIInChI=1S/C12H13F2N3/c1-2-17-7-16-10(12(17)15)8-3-5-9(6-4-8)11(13)14/h3-7,11H,2,15H2,1H3
InChIKeySQUFLRVLLWITKP-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
CID 62016973
5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
CID 62017910
3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096261
5-(4-methylphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62018503
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
5-(2-chlorophenyl)-3-ethylimidazol-4-amine
CID 62018842
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
3-(2-methylpropyl)-5-phenylimidazol-4-amine
CID 62017938
3-[4-(difluoromethyl)phenyl]pyrazin-2-amine
CID 112559175
5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017750
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
3-ethyl-5-methylimidazol-4-amine
CID 62075163

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine?
The IUPAC name of 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine (CID 113328551) is 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine?
The canonical SMILES for 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine is CCn1cnc(-c2ccc(C(F)F)cc2)c1N.
What is the InChIKey of 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine?
The InChIKey is SQUFLRVLLWITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-2-17-7-16-10(12(17)15)8-3-5-9(6-4-8)11(13)14/h3-7,11H,2,15H2,1H3.
What are the key properties of 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine?
5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine has a molecular weight of 237.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)phenyl]-3-ethylimidazol-4-amine is sourced from PubChem (CID 113328551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).