3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol

C20H15N3O — CID 3664354

IUPAC3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
SMILESOc1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C20H15N3O/c24-14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21,24H
InChIKeyBFOGBIPNIZJOBV-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.38
Rot. Bonds1

About 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol

3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol (PubChem CID 3664354) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol.

Molecular Properties

Compound Name3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
PubChem CID3664354
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
SMILESOc1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1
InChIInChI=1S/C20H15N3O/c24-14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21,24H
InChIKeyBFOGBIPNIZJOBV-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

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Related Compounds

(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
CID 135904843
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
CID 139076751
(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135562411
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379
ethane;6-pyren-1-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 143486448
6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3904936

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The IUPAC name of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol (CID 3664354) is 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol.
What is the SMILES notation for 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The canonical SMILES for 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol is Oc1cccc(C2Nc3ccccc3-c3nc4ccccc4n32)c1.
What is the InChIKey of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
The InChIKey is BFOGBIPNIZJOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c24-14-7-5-6-13(12-14)19-21-16-9-2-1-8-15(16)20-22-17-10-3-4-11-18(17)23(19)20/h1-12,19,21,24H.
What are the key properties of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol?
3-(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 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol is sourced from PubChem (CID 3664354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).