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

C17H25N3O — CID 79499702

IUPAC5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine
SMILESCC1(CCc2ccccc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C17H25N3O/c1-17(10-9-14-6-3-2-4-7-14)13-19-16(18)20(17)12-15-8-5-11-21-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,18,19)
InChIKeyXXPZMPIVGLIQHJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.19
Rot. Bonds5

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

5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine (PubChem CID 79499702) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine
PubChem CID79499702
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine
SMILESCC1(CCc2ccccc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C17H25N3O/c1-17(10-9-14-6-3-2-4-7-14)13-19-16(18)20(17)12-15-8-5-11-21-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,18,19)
InChIKeyXXPZMPIVGLIQHJ-UHFFFAOYSA-N
XLogP2.19
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine (CID 79499702) is 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine is CC1(CCc2ccccc2)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine?
The InChIKey is XXPZMPIVGLIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(10-9-14-6-3-2-4-7-14)13-19-16(18)20(17)12-15-8-5-11-21-15/h2-4,6-7,15H,5,8-13H2,1H3,(H2,18,19).
What are the key properties of 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine?
5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-2-ylmethyl)-5-(2-phenylethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79499702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).