5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C15H19F2N3O — CID 79500645

IUPAC5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cc2F)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19F2N3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19)
InChIKeyXNLQWYPORCSNEW-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.99
Rot. Bonds3

About 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79500645) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79500645
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2ccc(F)cc2F)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19F2N3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19)
InChIKeyXNLQWYPORCSNEW-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79500645) is 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC1(c2ccc(F)cc2F)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is XNLQWYPORCSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-15(12-5-4-10(16)7-13(12)17)9-19-14(18)20(15)8-11-3-2-6-21-11/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,18,19).
What are the key properties of 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 295.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79500645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).