5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine

C11H11F2N3 — CID 62017910

IUPAC5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C11H11F2N3/c1-2-16-6-15-10(11(16)14)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3
InChIKeyBYIATTNJSHVIEZ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.43
Rot. Bonds2

About 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine

5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine (PubChem CID 62017910) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
PubChem CID62017910
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine
SMILESCCn1cnc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C11H11F2N3/c1-2-16-6-15-10(11(16)14)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3
InChIKeyBYIATTNJSHVIEZ-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine (CID 62017910) is 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine is CCn1cnc(-c2ccc(F)c(F)c2)c1N.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine?
The InChIKey is BYIATTNJSHVIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-2-16-6-15-10(11(16)14)7-3-4-8(12)9(13)5-7/h3-6H,2,14H2,1H3.
What are the key properties of 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine?
5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine has a molecular weight of 223.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-ethylimidazol-4-amine is sourced from PubChem (CID 62017910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).