3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine

C15H21N3O2 — CID 62019239

IUPAC3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine
SMILESCOc1ccc(-c2ncn(C(C)(C)C)c2N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-15(2,3)18-9-17-13(14(18)16)10-6-7-11(19-4)12(8-10)20-5/h6-9H,16H2,1-5H3
InChIKeyQSGZLTNZVWJNPD-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.90
Rot. Bonds3

About 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine

3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine (PubChem CID 62019239) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine
PubChem CID62019239
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine
SMILESCOc1ccc(-c2ncn(C(C)(C)C)c2N)cc1OC
InChIInChI=1S/C15H21N3O2/c1-15(2,3)18-9-17-13(14(18)16)10-6-7-11(19-4)12(8-10)20-5/h6-9H,16H2,1-5H3
InChIKeyQSGZLTNZVWJNPD-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine (CID 62019239) is 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine is COc1ccc(-c2ncn(C(C)(C)C)c2N)cc1OC.
What is the InChIKey of 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine?
The InChIKey is QSGZLTNZVWJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)18-9-17-13(14(18)16)10-6-7-11(19-4)12(8-10)20-5/h6-9H,16H2,1-5H3.
What are the key properties of 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine?
3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine has a molecular weight of 275.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 62019239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).