2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine

C13H16N4 — CID 55080105

IUPAC2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C3CC3)n(N)c2N)cc1
InChIInChI=1S/C13H16N4/c1-8-2-4-9(5-3-8)11-12(14)17(15)13(16-11)10-6-7-10/h2-5,10H,6-7,14-15H2,1H3
InChIKeyRYEHFTXZHBSVGZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.03
Rot. Bonds2

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

2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine (PubChem CID 55080105) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine
PubChem CID55080105
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C3CC3)n(N)c2N)cc1
InChIInChI=1S/C13H16N4/c1-8-2-4-9(5-3-8)11-12(14)17(15)13(16-11)10-6-7-10/h2-5,10H,6-7,14-15H2,1H3
InChIKeyRYEHFTXZHBSVGZ-UHFFFAOYSA-N
XLogP2.03
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine?
The IUPAC name of 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine (CID 55080105) is 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine is Cc1ccc(-c2nc(C3CC3)n(N)c2N)cc1.
What is the InChIKey of 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine?
The InChIKey is RYEHFTXZHBSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-8-2-4-9(5-3-8)11-12(14)17(15)13(16-11)10-6-7-10/h2-5,10H,6-7,14-15H2,1H3.
What are the key properties of 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine?
2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(4-methylphenyl)imidazole-1,5-diamine is sourced from PubChem (CID 55080105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).