benzene-1,3,5-triol;1H-benzimidazole

C13H12N2O3 — CID 129097298

IUPACbenzene-1,3,5-triol;1H-benzimidazole
SMILESOc1cc(O)cc(O)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C6H6O3/c1-2-4-7-6(3-1)8-5-9-7;7-4-1-5(8)3-6(9)2-4/h1-5H,(H,8,9);1-3,7-9H
InChIKeyQVRGVINIAXYMMW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.37
Rot. Bonds

About benzene-1,3,5-triol;1H-benzimidazole

benzene-1,3,5-triol;1H-benzimidazole (PubChem CID 129097298) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is benzene-1,3,5-triol;1H-benzimidazole.

Molecular Properties

Compound Namebenzene-1,3,5-triol;1H-benzimidazole
PubChem CID129097298
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Namebenzene-1,3,5-triol;1H-benzimidazole
SMILESOc1cc(O)cc(O)c1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C6H6O3/c1-2-4-7-6(3-1)8-5-9-7;7-4-1-5(8)3-6(9)2-4/h1-5H,(H,8,9);1-3,7-9H
InChIKeyQVRGVINIAXYMMW-UHFFFAOYSA-N
XLogP2.37
TPSA89.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene-1,3,5-triol;1H-benzimidazole?
The IUPAC name of benzene-1,3,5-triol;1H-benzimidazole (CID 129097298) is benzene-1,3,5-triol;1H-benzimidazole.
What is the SMILES notation for benzene-1,3,5-triol;1H-benzimidazole?
The canonical SMILES for benzene-1,3,5-triol;1H-benzimidazole is Oc1cc(O)cc(O)c1.c1ccc2[nH]cnc2c1.
What is the InChIKey of benzene-1,3,5-triol;1H-benzimidazole?
The InChIKey is QVRGVINIAXYMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C6H6O3/c1-2-4-7-6(3-1)8-5-9-7;7-4-1-5(8)3-6(9)2-4/h1-5H,(H,8,9);1-3,7-9H.
What are the key properties of benzene-1,3,5-triol;1H-benzimidazole?
benzene-1,3,5-triol;1H-benzimidazole has a molecular weight of 244.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triol;1H-benzimidazole is sourced from PubChem (CID 129097298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).