7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol

C17H12N2O2 — CID 67301018

IUPAC7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol
SMILESOc1ccc(-c2cc(O)c3c(c2)nc2ccccn23)cc1
InChIInChI=1S/C17H12N2O2/c20-13-6-4-11(5-7-13)12-9-14-17(15(21)10-12)19-8-2-1-3-16(19)18-14/h1-10,20-21H
InChIKeySICKJGBAMRNMDE-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.57
Rot. Bonds1

About 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol

7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol (PubChem CID 67301018) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol.

Molecular Properties

Compound Name7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol
PubChem CID67301018
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol
SMILESOc1ccc(-c2cc(O)c3c(c2)nc2ccccn23)cc1
InChIInChI=1S/C17H12N2O2/c20-13-6-4-11(5-7-13)12-9-14-17(15(21)10-12)19-8-2-1-3-16(19)18-14/h1-10,20-21H
InChIKeySICKJGBAMRNMDE-UHFFFAOYSA-N
XLogP3.57
TPSA57.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol?
The IUPAC name of 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol (CID 67301018) is 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol.
What is the SMILES notation for 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol?
The canonical SMILES for 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol is Oc1ccc(-c2cc(O)c3c(c2)nc2ccccn23)cc1.
What is the InChIKey of 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol?
The InChIKey is SICKJGBAMRNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-13-6-4-11(5-7-13)12-9-14-17(15(21)10-12)19-8-2-1-3-16(19)18-14/h1-10,20-21H.
What are the key properties of 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol?
7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol has a molecular weight of 276.30 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxyphenyl)pyrido[1,2-a]benzimidazol-9-ol is sourced from PubChem (CID 67301018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).