5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C15H20FN3O — CID 79505038

IUPAC5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2cccc(F)c2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H20FN3O/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyKMRLIUWZYPZNTK-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.85
Rot. Bonds3

About 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79505038) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79505038
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(c2cccc(F)c2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H20FN3O/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyKMRLIUWZYPZNTK-UHFFFAOYSA-N
XLogP1.85
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79505038) is 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC1(c2cccc(F)c2)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is KMRLIUWZYPZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-15(11-4-2-5-12(16)8-11)10-18-14(17)19(15)9-13-6-3-7-20-13/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 277.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79505038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).