5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine

C15H19F2N3 — CID 115528289

IUPAC5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C15H19F2N3/c1-4-20-14(18)12(19-15(20)9(2)3)10-6-5-7-11(8-10)13(16)17/h5-9,13H,4,18H2,1-3H3
InChIKeyHEGYSPPUYRAFIV-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.21
Rot. Bonds4

About 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine

5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine (PubChem CID 115528289) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
PubChem CID115528289
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
SMILESCCn1c(C(C)C)nc(-c2cccc(C(F)F)c2)c1N
InChIInChI=1S/C15H19F2N3/c1-4-20-14(18)12(19-15(20)9(2)3)10-6-5-7-11(8-10)13(16)17/h5-9,13H,4,18H2,1-3H3
InChIKeyHEGYSPPUYRAFIV-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-(3-methylphenyl)-2-propan-2-ylimidazol-4-amine
CID 62220327
5-(3,5-difluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 106531922
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 63469094
5-(3-chloro-2-fluorophenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 114488594
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
CID 115525227
5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
CID 115528257
5-(3,4-dimethylphenyl)-2-propan-2-yl-3-propylimidazol-4-amine
CID 63469456
5-(2-chloro-6-methoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 104818026
5-(2-ethoxyphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 62219790
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
2-tert-butyl-3-ethyl-5-(3-methylphenyl)imidazol-4-amine
CID 62218997

Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine (CID 115528289) is 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine is CCn1c(C(C)C)nc(-c2cccc(C(F)F)c2)c1N.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is HEGYSPPUYRAFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-4-20-14(18)12(19-15(20)9(2)3)10-6-5-7-11(8-10)13(16)17/h5-9,13H,4,18H2,1-3H3.
What are the key properties of 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine?
5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 279.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 115528289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).