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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Related Compounds

3-tert-butyl-5-(3,4-dimethoxyphenyl)imidazol-4-amine
CID 62019239
3-tert-butyl-5-(4-chlorophenyl)imidazol-4-amine
CID 62018861
5-(7-bromo-1,3-benzodioxol-5-yl)-3-tert-butylimidazol-4-amine
CID 62018116
3-(3,4-dimethylphenyl)-1-methyl-4-pyridin-2-ylpyrazol-5-amine
CID 80522035
3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine
CID 55067062
2-tert-butyl-6-(3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975520
[1-tert-butyl-3-(3,4-dimethylphenyl)pyrazol-4-yl]methanol
CID 39095894
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
6-(3,4-dimethylphenyl)-1,2,4-triazin-5-amine
CID 116822961
5-(4-methoxy-3-methylphenyl)-3-propylimidazol-4-amine
CID 62131367
2-[5-amino-4-(3,4-dimethylphenyl)triazol-1-yl]benzonitrile
CID 82370409

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).