4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine

C13H16F2N4O2 — CID 62482978

IUPAC4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
SMILESCCOc1cc(-c2nc(C)n(N)c2N)ccc1OC(F)F
InChIInChI=1S/C13H16F2N4O2/c1-3-20-10-6-8(4-5-9(10)21-13(14)15)11-12(16)19(17)7(2)18-11/h4-6,13H,3,16-17H2,1-2H3
InChIKeyBXKGCCGEGNELRI-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.15
Rot. Bonds5

About 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine

4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine (PubChem CID 62482978) has the molecular formula C13H16F2N4O2 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
PubChem CID62482978
Molecular FormulaC13H16F2N4O2
Molecular Weight298.29 g/mol
Exact Mass298.12
IUPAC Name4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
SMILESCCOc1cc(-c2nc(C)n(N)c2N)ccc1OC(F)F
InChIInChI=1S/C13H16F2N4O2/c1-3-20-10-6-8(4-5-9(10)21-13(14)15)11-12(16)19(17)7(2)18-11/h4-6,13H,3,16-17H2,1-2H3
InChIKeyBXKGCCGEGNELRI-UHFFFAOYSA-N
XLogP2.15
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine (CID 62482978) is 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine is CCOc1cc(-c2nc(C)n(N)c2N)ccc1OC(F)F.
What is the InChIKey of 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine?
The InChIKey is BXKGCCGEGNELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4O2/c1-3-20-10-6-8(4-5-9(10)21-13(14)15)11-12(16)19(17)7(2)18-11/h4-6,13H,3,16-17H2,1-2H3.
What are the key properties of 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine?
4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine has a molecular weight of 298.29 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 62482978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).