5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine

C15H19N3O2 — CID 652466

IUPAC5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2CC2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-12-6-4-11(5-7-12)14-9-17-15(16)18(14)10-13-3-2-8-20-13/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17)
InChIKeyVLECZSTXCFTZGH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.32
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine

5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine (PubChem CID 652466) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
PubChem CID652466
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2CC2CCCO2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-12-6-4-11(5-7-12)14-9-17-15(16)18(14)10-13-3-2-8-20-13/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17)
InChIKeyVLECZSTXCFTZGH-UHFFFAOYSA-N
XLogP2.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine (CID 652466) is 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine is COc1ccc(-c2cnc(N)n2CC2CCCO2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is VLECZSTXCFTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-12-6-4-11(5-7-12)14-9-17-15(16)18(14)10-13-3-2-8-20-13/h4-7,9,13H,2-3,8,10H2,1H3,(H2,16,17).
What are the key properties of 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine?
5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 652466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).