2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine

C17H25N3O — CID 62495772

IUPAC2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1ccc(-c2nc(C)n(CC(C)C)c2N)cc1
InChIInChI=1S/C17H25N3O/c1-5-10-21-15-8-6-14(7-9-15)16-17(18)20(11-12(2)3)13(4)19-16/h6-9,12H,5,10-11,18H2,1-4H3
InChIKeyRJNSIGQWKFUXBV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.89
Rot. Bonds6

About 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine

2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine (PubChem CID 62495772) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
PubChem CID62495772
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine
SMILESCCCOc1ccc(-c2nc(C)n(CC(C)C)c2N)cc1
InChIInChI=1S/C17H25N3O/c1-5-10-21-15-8-6-14(7-9-15)16-17(18)20(11-12(2)3)13(4)19-16/h6-9,12H,5,10-11,18H2,1-4H3
InChIKeyRJNSIGQWKFUXBV-UHFFFAOYSA-N
XLogP3.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine?
The IUPAC name of 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine (CID 62495772) is 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine is CCCOc1ccc(-c2nc(C)n(CC(C)C)c2N)cc1.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine?
The InChIKey is RJNSIGQWKFUXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-10-21-15-8-6-14(7-9-15)16-17(18)20(11-12(2)3)13(4)19-16/h6-9,12H,5,10-11,18H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine?
2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)-5-(4-propoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62495772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).