5-(4-methoxyphenyl)-1-methylimidazol-2-amine

C11H13N3O — CID 1132944

IUPAC5-(4-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2C)cc1
InChIInChI=1S/C11H13N3O/c1-14-10(7-13-11(14)12)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyILHHHWSQEBWULH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.68
Rot. Bonds2

About 5-(4-methoxyphenyl)-1-methylimidazol-2-amine

5-(4-methoxyphenyl)-1-methylimidazol-2-amine (PubChem CID 1132944) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methylimidazol-2-amine
PubChem CID1132944
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-(4-methoxyphenyl)-1-methylimidazol-2-amine
SMILESCOc1ccc(-c2cnc(N)n2C)cc1
InChIInChI=1S/C11H13N3O/c1-14-10(7-13-11(14)12)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H2,12,13)
InChIKeyILHHHWSQEBWULH-UHFFFAOYSA-N
XLogP1.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methylimidazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1-methylimidazol-2-amine (CID 1132944) is 5-(4-methoxyphenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methylimidazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methylimidazol-2-amine is COc1ccc(-c2cnc(N)n2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methylimidazol-2-amine?
The InChIKey is ILHHHWSQEBWULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-10(7-13-11(14)12)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 5-(4-methoxyphenyl)-1-methylimidazol-2-amine?
5-(4-methoxyphenyl)-1-methylimidazol-2-amine has a molecular weight of 203.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 1132944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).