4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol

C10H11N3O2 — CID 115023925

IUPAC4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
SMILESCc1[nH]c(N)nc1-c1ccc(O)c(O)c1
InChIInChI=1S/C10H11N3O2/c1-5-9(13-10(11)12-5)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H3,11,12,13)
InChIKeyQCEYBUDXRXZKEA-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.38
Rot. Bonds1

About 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol

4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol (PubChem CID 115023925) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
PubChem CID115023925
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
SMILESCc1[nH]c(N)nc1-c1ccc(O)c(O)c1
InChIInChI=1S/C10H11N3O2/c1-5-9(13-10(11)12-5)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H3,11,12,13)
InChIKeyQCEYBUDXRXZKEA-UHFFFAOYSA-N
XLogP1.38
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
2-amino-4-(2-cyclopropyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037204
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
CID 105453451
6-(2-amino-5-methyl-1H-imidazol-4-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 82482606
2-amino-4-(5-methyl-1H-imidazol-4-yl)phenol
CID 115017751
4-(5-methylthiophen-2-yl)benzene-1,2-diol
CID 25130840
4-(2,5-dimethyl-1H-imidazol-4-yl)aniline
CID 82048495
3-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)phenol
CID 115037876
4-[5-(1-aminopropan-2-yl)-4,6-dimethylpyrimidin-2-yl]benzene-1,2-diol
CID 136889452
4-amino-2-(3,4-dihydroxyphenyl)-5-ethyl-1H-pyrimidin-6-one
CID 136938581

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol (CID 115023925) is 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol is Cc1[nH]c(N)nc1-c1ccc(O)c(O)c1.
What is the InChIKey of 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol?
The InChIKey is QCEYBUDXRXZKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-5-9(13-10(11)12-5)6-2-3-7(14)8(15)4-6/h2-4,14-15H,1H3,(H3,11,12,13).
What are the key properties of 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol?
4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol has a molecular weight of 205.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 115023925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).