4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine

C13H18N4O — CID 82295331

IUPAC4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
SMILESCCOc1cc(C)c(-c2cn(N)c(N)n2)cc1C
InChIInChI=1S/C13H18N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-17(15)13(14)16-11/h5-7H,4,15H2,1-3H3,(H2,14,16)
InChIKeyNRDGDQOBYGXUQC-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.86
Rot. Bonds3

About 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine

4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine (PubChem CID 82295331) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine.

Molecular Properties

Compound Name4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
PubChem CID82295331
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine
SMILESCCOc1cc(C)c(-c2cn(N)c(N)n2)cc1C
InChIInChI=1S/C13H18N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-17(15)13(14)16-11/h5-7H,4,15H2,1-3H3,(H2,14,16)
InChIKeyNRDGDQOBYGXUQC-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
CID 82298326
5-(4-ethoxy-2,5-dimethylphenyl)-1,2,4-triazin-3-amine
CID 82478515
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
CID 82294442
[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 3941656
2-[4-(4-ethoxy-2,5-dimethylphenyl)imidazol-1-yl]acetic acid
CID 82306962
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
[5-(4-ethoxy-2,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360109
4-(2-methoxy-4-propan-2-ylphenyl)imidazole-1,2-diamine
CID 82295339
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine?
The IUPAC name of 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine (CID 82295331) is 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine.
What is the SMILES notation for 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine?
The canonical SMILES for 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine is CCOc1cc(C)c(-c2cn(N)c(N)n2)cc1C.
What is the InChIKey of 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine?
The InChIKey is NRDGDQOBYGXUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-18-12-6-8(2)10(5-9(12)3)11-7-17(15)13(14)16-11/h5-7H,4,15H2,1-3H3,(H2,14,16).
What are the key properties of 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine?
4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine has a molecular weight of 246.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxy-2,5-dimethylphenyl)imidazole-1,2-diamine is sourced from PubChem (CID 82295331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).