4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine

C13H18N4 — CID 55011993

IUPAC4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
SMILESCc1ccc(CN(C)c2nc(C)[nH]c2N)cc1
InChIInChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyXKGQZTYPUXBOHY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds3

About 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine

4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine (PubChem CID 55011993) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
PubChem CID55011993
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine
SMILESCc1ccc(CN(C)c2nc(C)[nH]c2N)cc1
InChIInChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16)
InChIKeyXKGQZTYPUXBOHY-UHFFFAOYSA-N
XLogP2.25
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The IUPAC name of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine (CID 55011993) is 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine.
What is the SMILES notation for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The canonical SMILES for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine is Cc1ccc(CN(C)c2nc(C)[nH]c2N)cc1.
What is the InChIKey of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
The InChIKey is XKGQZTYPUXBOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-4-6-11(7-5-9)8-17(3)13-12(14)15-10(2)16-13/h4-7H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine?
4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine has a molecular weight of 230.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,2-dimethyl-4-N-[(4-methylphenyl)methyl]-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55011993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).