5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine

C15H21N3O2 — CID 62019427

IUPAC5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCOc1ccc(-c2ncn(CC(C)C)c2N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-10(2)8-18-9-17-14(15(18)16)11-5-6-12(19-3)13(7-11)20-4/h5-7,9-10H,8,16H2,1-4H3
InChIKeyHLYKQVWQPZMWOM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine

5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62019427) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62019427
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine
SMILESCOc1ccc(-c2ncn(CC(C)C)c2N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-10(2)8-18-9-17-14(15(18)16)11-5-6-12(19-3)13(7-11)20-4/h5-7,9-10H,8,16H2,1-4H3
InChIKeyHLYKQVWQPZMWOM-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine (CID 62019427) is 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine is COc1ccc(-c2ncn(CC(C)C)c2N)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is HLYKQVWQPZMWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)8-18-9-17-14(15(18)16)11-5-6-12(19-3)13(7-11)20-4/h5-7,9-10H,8,16H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine?
5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 275.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62019427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).