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

C15H21N3 — CID 62018496

IUPAC3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C(C)(C)C)c2N)cc1C
InChIInChI=1S/C15H21N3/c1-10-6-7-12(8-11(10)2)13-14(16)18(9-17-13)15(3,4)5/h6-9H,16H2,1-5H3
InChIKeyAXNVKLMODAPOIT-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.50
Rot. Bonds1

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

3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine (PubChem CID 62018496) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine
PubChem CID62018496
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine
SMILESCc1ccc(-c2ncn(C(C)(C)C)c2N)cc1C
InChIInChI=1S/C15H21N3/c1-10-6-7-12(8-11(10)2)13-14(16)18(9-17-13)15(3,4)5/h6-9H,16H2,1-5H3
InChIKeyAXNVKLMODAPOIT-UHFFFAOYSA-N
XLogP3.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine (CID 62018496) is 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine is Cc1ccc(-c2ncn(C(C)(C)C)c2N)cc1C.
What is the InChIKey of 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine?
The InChIKey is AXNVKLMODAPOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-7-12(8-11(10)2)13-14(16)18(9-17-13)15(3,4)5/h6-9H,16H2,1-5H3.
What are the key properties of 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine?
3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,4-dimethylphenyl)imidazol-4-amine is sourced from PubChem (CID 62018496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).