1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine

C16H18N4O — CID 79497874

IUPAC1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2(C)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O/c1-16(14-5-3-4-10-18-14)11-19-15(17)20(16)12-6-8-13(21-2)9-7-12/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyKRTKISWNPWOVED-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine

1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine (PubChem CID 79497874) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine
PubChem CID79497874
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine
SMILESCOc1ccc(N2C(N)=NCC2(C)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O/c1-16(14-5-3-4-10-18-14)11-19-15(17)20(16)12-6-8-13(21-2)9-7-12/h3-10H,11H2,1-2H3,(H2,17,19)
InChIKeyKRTKISWNPWOVED-UHFFFAOYSA-N
XLogP2.14
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine (CID 79497874) is 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine is COc1ccc(N2C(N)=NCC2(C)c2ccccn2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The InChIKey is KRTKISWNPWOVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(14-5-3-4-10-18-14)11-19-15(17)20(16)12-6-8-13(21-2)9-7-12/h3-10H,11H2,1-2H3,(H2,17,19).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine?
1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine has a molecular weight of 282.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-5-pyridin-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79497874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).