4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine

C13H18N4 — CID 62506943

IUPAC4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCc1ccccc1-c1nc(C(C)C)n(N)c1N
InChIInChI=1S/C13H18N4/c1-8(2)13-16-11(12(14)17(13)15)10-7-5-4-6-9(10)3/h4-8H,14-15H2,1-3H3
InChIKeyXJVIJHXOKHMDEX-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.28
Rot. Bonds2

About 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine

4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 62506943) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID62506943
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCc1ccccc1-c1nc(C(C)C)n(N)c1N
InChIInChI=1S/C13H18N4/c1-8(2)13-16-11(12(14)17(13)15)10-7-5-4-6-9(10)3/h4-8H,14-15H2,1-3H3
InChIKeyXJVIJHXOKHMDEX-UHFFFAOYSA-N
XLogP2.28
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine (CID 62506943) is 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine is Cc1ccccc1-c1nc(C(C)C)n(N)c1N.
What is the InChIKey of 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is XJVIJHXOKHMDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(2)13-16-11(12(14)17(13)15)10-7-5-4-6-9(10)3/h4-8H,14-15H2,1-3H3.
What are the key properties of 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine?
4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 62506943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).