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

C16H23N3O — CID 79504739

IUPAC5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(Cc2ccccc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H23N3O/c1-16(10-13-6-3-2-4-7-13)12-18-15(17)19(16)11-14-8-5-9-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H2,17,18)
InChIKeyXYTTZXLNHCRXQC-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.80
Rot. Bonds4

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

5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79504739) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79504739
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCC1(Cc2ccccc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H23N3O/c1-16(10-13-6-3-2-4-7-13)12-18-15(17)19(16)11-14-8-5-9-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H2,17,18)
InChIKeyXYTTZXLNHCRXQC-UHFFFAOYSA-N
XLogP1.80
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79504739) is 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CC1(Cc2ccccc2)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is XYTTZXLNHCRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(10-13-6-3-2-4-7-13)12-18-15(17)19(16)11-14-8-5-9-20-14/h2-4,6-7,14H,5,8-12H2,1H3,(H2,17,18).
What are the key properties of 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-methyl-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79504739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).