1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine

C13H17N3O2 — CID 652582

IUPAC1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1N
InChIInChI=1S/C13H17N3O2/c1-17-8-7-16-12(9-15-13(16)14)10-3-5-11(18-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyLPAIHDYXLZLGEU-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine

1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine (PubChem CID 652582) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine
PubChem CID652582
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine
SMILESCOCCn1c(-c2ccc(OC)cc2)cnc1N
InChIInChI=1S/C13H17N3O2/c1-17-8-7-16-12(9-15-13(16)14)10-3-5-11(18-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)
InChIKeyLPAIHDYXLZLGEU-UHFFFAOYSA-N
XLogP1.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine?
The IUPAC name of 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine (CID 652582) is 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine?
The canonical SMILES for 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine is COCCn1c(-c2ccc(OC)cc2)cnc1N.
What is the InChIKey of 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine?
The InChIKey is LPAIHDYXLZLGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-8-7-16-12(9-15-13(16)14)10-3-5-11(18-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine?
1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(4-methoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 652582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).