3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol

C14H13N3O3 — CID 162531082

IUPAC3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
SMILESCOc1cc(-c2nc3cnccc3n2C)cc(O)c1O
InChIInChI=1S/C14H13N3O3/c1-17-10-3-4-15-7-9(10)16-14(17)8-5-11(18)13(19)12(6-8)20-2/h3-7,18-19H,1-2H3
InChIKeyXXPWZIQKQDQWJG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.06
Rot. Bonds2

About 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol

3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol (PubChem CID 162531082) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
PubChem CID162531082
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
SMILESCOc1cc(-c2nc3cnccc3n2C)cc(O)c1O
InChIInChI=1S/C14H13N3O3/c1-17-10-3-4-15-7-9(10)16-14(17)8-5-11(18)13(19)12(6-8)20-2/h3-7,18-19H,1-2H3
InChIKeyXXPWZIQKQDQWJG-UHFFFAOYSA-N
XLogP2.06
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,3-diamine
CID 114003749
2-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,4-diol
CID 136903815
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
CID 105063785
5-(5-isocyano-1-propylbenzimidazol-2-yl)-3-methoxybenzene-1,2-diol
CID 168854483
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109
2-ethoxy-4-(5-methoxy-1-methylbenzimidazol-2-yl)phenol
CID 146024273
5-chloro-1-methyl-2-pyridin-3-ylbenzimidazole
CID 10966745
2-methoxy-N-(3-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245110
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
2-[2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142041
2-(1H-indol-2-yl)-1-methylimidazo[4,5-c]pyridine
CID 135580108

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The IUPAC name of 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol (CID 162531082) is 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol is COc1cc(-c2nc3cnccc3n2C)cc(O)c1O.
What is the InChIKey of 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The InChIKey is XXPWZIQKQDQWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-17-10-3-4-15-7-9(10)16-14(17)8-5-11(18)13(19)12(6-8)20-2/h3-7,18-19H,1-2H3.
What are the key properties of 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol has a molecular weight of 271.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 162531082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).