4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine

C15H23N3O — CID 68878062

IUPAC4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine
SMILESCOc1ccc(N2C=CN(CCC(C)(C)N)C2)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,16)8-9-17-10-11-18(12-17)13-4-6-14(19-3)7-5-13/h4-7,10-11H,8-9,12,16H2,1-3H3
InChIKeyWUMZIDOANUUILO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.37
Rot. Bonds5

About 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine

4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine (PubChem CID 68878062) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine
PubChem CID68878062
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine
SMILESCOc1ccc(N2C=CN(CCC(C)(C)N)C2)cc1
InChIInChI=1S/C15H23N3O/c1-15(2,16)8-9-17-10-11-18(12-17)13-4-6-14(19-3)7-5-13/h4-7,10-11H,8-9,12,16H2,1-3H3
InChIKeyWUMZIDOANUUILO-UHFFFAOYSA-N
XLogP2.37
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine (CID 68878062) is 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine is COc1ccc(N2C=CN(CCC(C)(C)N)C2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine?
The InChIKey is WUMZIDOANUUILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16)8-9-17-10-11-18(12-17)13-4-6-14(19-3)7-5-13/h4-7,10-11H,8-9,12,16H2,1-3H3.
What are the key properties of 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine?
4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-2H-imidazol-1-yl]-2-methylbutan-2-amine is sourced from PubChem (CID 68878062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).