5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C15H19F2N3O — CID 79499263

IUPAC5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2c(F)cccc2F)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19F2N3O/c1-15(13-11(16)5-2-6-12(13)17)9-19-14(18)20(15)8-10-4-3-7-21-10/h2,5-6,10H,3-4,7-9H2,1H3,(H2,18,19)
InChIKeyGVNRHUHNCMWRRG-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.99
Rot. Bonds3

About 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79499263) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79499263
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2c(F)cccc2F)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H19F2N3O/c1-15(13-11(16)5-2-6-12(13)17)9-19-14(18)20(15)8-10-4-3-7-21-10/h2,5-6,10H,3-4,7-9H2,1H3,(H2,18,19)
InChIKeyGVNRHUHNCMWRRG-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-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79499263) is 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC1(c2c(F)cccc2F)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is GVNRHUHNCMWRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-15(13-11(16)5-2-6-12(13)17)9-19-14(18)20(15)8-10-4-3-7-21-10/h2,5-6,10H,3-4,7-9H2,1H3,(H2,18,19).
What are the key properties of 5-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-(2,6-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-(2,6-difluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79499263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).