5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol

C10H12N2O2 — CID 174876885

IUPAC5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol
SMILESCN1C=CN(c2cc(O)cc(O)c2)C1
InChIInChI=1S/C10H12N2O2/c1-11-2-3-12(7-11)8-4-9(13)6-10(14)5-8/h2-6,13-14H,7H2,1H3
InChIKeyFNDHQZWRPPXMLJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.28
Rot. Bonds1

About 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol

5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol (PubChem CID 174876885) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol
PubChem CID174876885
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol
SMILESCN1C=CN(c2cc(O)cc(O)c2)C1
InChIInChI=1S/C10H12N2O2/c1-11-2-3-12(7-11)8-4-9(13)6-10(14)5-8/h2-6,13-14H,7H2,1H3
InChIKeyFNDHQZWRPPXMLJ-UHFFFAOYSA-N
XLogP1.28
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol?
The IUPAC name of 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol (CID 174876885) is 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol.
What is the SMILES notation for 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol?
The canonical SMILES for 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol is CN1C=CN(c2cc(O)cc(O)c2)C1.
What is the InChIKey of 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol?
The InChIKey is FNDHQZWRPPXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-11-2-3-12(7-11)8-4-9(13)6-10(14)5-8/h2-6,13-14H,7H2,1H3.
What are the key properties of 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol?
5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol has a molecular weight of 192.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2H-imidazol-1-yl)benzene-1,3-diol is sourced from PubChem (CID 174876885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).