5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine

C14H19N3O — CID 62131367

IUPAC5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccc(OC)c(C)c2)c1N
InChIInChI=1S/C14H19N3O/c1-4-7-17-9-16-13(14(17)15)11-5-6-12(18-3)10(2)8-11/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyXRZMNPAIYZEMNB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.86
Rot. Bonds4

About 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine

5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine (PubChem CID 62131367) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
PubChem CID62131367
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
SMILESCCCn1cnc(-c2ccc(OC)c(C)c2)c1N
InChIInChI=1S/C14H19N3O/c1-4-7-17-9-16-13(14(17)15)11-5-6-12(18-3)10(2)8-11/h5-6,8-9H,4,7,15H2,1-3H3
InChIKeyXRZMNPAIYZEMNB-UHFFFAOYSA-N
XLogP2.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine (CID 62131367) is 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine is CCCn1cnc(-c2ccc(OC)c(C)c2)c1N.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine?
The InChIKey is XRZMNPAIYZEMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-7-17-9-16-13(14(17)15)11-5-6-12(18-3)10(2)8-11/h5-6,8-9H,4,7,15H2,1-3H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine?
5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62131367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).