2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol

C20H15N3O — CID 5193552

IUPAC2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
SMILESOc1ccccc1C1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H15N3O/c24-18-12-6-2-8-14(18)20-21-15-9-3-1-7-13(15)19-22-16-10-4-5-11-17(16)23(19)20/h1-12,20-21,24H
InChIKeyRCQMGOPOWXBCGF-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.38
Rot. Bonds1

About 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol

2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol (PubChem CID 5193552) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol.

Molecular Properties

Compound Name2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
PubChem CID5193552
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
SMILESOc1ccccc1C1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H15N3O/c24-18-12-6-2-8-14(18)20-21-15-9-3-1-7-13(15)19-22-16-10-4-5-11-17(16)23(19)20/h1-12,20-21,24H
InChIKeyRCQMGOPOWXBCGF-UHFFFAOYSA-N
XLogP4.38
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The IUPAC name of 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol (CID 5193552) is 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol.
What is the SMILES notation for 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The canonical SMILES for 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol is Oc1ccccc1C1Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The InChIKey is RCQMGOPOWXBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-18-12-6-2-8-14(18)20-21-15-9-3-1-7-13(15)19-22-16-10-4-5-11-17(16)23(19)20/h1-12,20-21,24H.
What are the key properties of 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol has a molecular weight of 313.36 g/mol, XLogP of 4.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol is sourced from PubChem (CID 5193552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).