4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine

C13H18N4O — CID 82295339

IUPAC4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
SMILESCOc1cc(C(C)C)ccc1-c1cn(N)c(N)n1
InChIInChI=1S/C13H18N4O/c1-8(2)9-4-5-10(12(6-9)18-3)11-7-17(15)13(14)16-11/h4-8H,15H2,1-3H3,(H2,14,16)
InChIKeyVFNHTFDXRCASAN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.98
Rot. Bonds3

About 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine

4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine (PubChem CID 82295339) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
PubChem CID82295339
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
SMILESCOc1cc(C(C)C)ccc1-c1cn(N)c(N)n1
InChIInChI=1S/C13H18N4O/c1-8(2)9-4-5-10(12(6-9)18-3)11-7-17(15)13(14)16-11/h4-8H,15H2,1-3H3,(H2,14,16)
InChIKeyVFNHTFDXRCASAN-UHFFFAOYSA-N
XLogP1.98
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
5-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-oxazol-2-amine
CID 116831725
2-(2-methoxy-4-propan-2-ylphenyl)-4-methyl-1,3-thiazol-5-amine
CID 116864511
6-(2-methoxy-4-propan-2-ylphenyl)-N-methylpyridazin-3-amine
CID 82483067
6-(2-methoxy-4-propan-2-ylphenyl)imidazo[1,2-b]pyridazine
CID 116854271
5-(2-methoxy-4-propan-2-ylphenyl)-1,3-dimethylpyrazole
CID 116856768
amino-(2-methoxy-4-propan-2-ylphenyl)methanol
CID 116939637
4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
CID 82301803
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine (CID 82295339) is 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine is COc1cc(C(C)C)ccc1-c1cn(N)c(N)n1.
What is the InChIKey of 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine?
The InChIKey is VFNHTFDXRCASAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(2)9-4-5-10(12(6-9)18-3)11-7-17(15)13(14)16-11/h4-8H,15H2,1-3H3,(H2,14,16).
What are the key properties of 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine?
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 82295339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).