4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine

C14H20N4 — CID 82294442

IUPAC4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(N)c(N)n1
InChIInChI=1S/C14H20N4/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-18(16)13(15)17-12/h5-8H,16H2,1-4H3,(H2,15,17)
InChIKeyXLSZIAVVJQXFEP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.45
Rot. Bonds1

About 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine

4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine (PubChem CID 82294442) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
PubChem CID82294442
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
SMILESCc1ccc(C(C)(C)C)cc1-c1cn(N)c(N)n1
InChIInChI=1S/C14H20N4/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-18(16)13(15)17-12/h5-8H,16H2,1-4H3,(H2,15,17)
InChIKeyXLSZIAVVJQXFEP-UHFFFAOYSA-N
XLogP2.45
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine (CID 82294442) is 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine is Cc1ccc(C(C)(C)C)cc1-c1cn(N)c(N)n1.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine?
The InChIKey is XLSZIAVVJQXFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-5-6-10(14(2,3)4)7-11(9)12-8-18(16)13(15)17-12/h5-8H,16H2,1-4H3,(H2,15,17).
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine?
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 82294442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).