2-chloro-5-phenylbenzo[e]perimidin-7-one

C21H11ClN2O — CID 163765774

IUPAC2-chloro-5-phenylbenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2nc(Cl)nc3cc(-c4ccccc4)cc1c23
InChIInChI=1S/C21H11ClN2O/c22-21-23-17-11-13(12-6-2-1-3-7-12)10-16-18(17)19(24-21)14-8-4-5-9-15(14)20(16)25/h1-11H
InChIKeyMCDOMXMXUBAJLX-UHFFFAOYSA-N
MW342.79 g/mol
LogP5.16
Rot. Bonds1

About 2-chloro-5-phenylbenzo[e]perimidin-7-one

2-chloro-5-phenylbenzo[e]perimidin-7-one (PubChem CID 163765774) has the molecular formula C21H11ClN2O and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-chloro-5-phenylbenzo[e]perimidin-7-one.

Molecular Properties

Compound Name2-chloro-5-phenylbenzo[e]perimidin-7-one
PubChem CID163765774
Molecular FormulaC21H11ClN2O
Molecular Weight342.79 g/mol
Exact Mass342.06
IUPAC Name2-chloro-5-phenylbenzo[e]perimidin-7-one
SMILESO=C1c2ccccc2-c2nc(Cl)nc3cc(-c4ccccc4)cc1c23
InChIInChI=1S/C21H11ClN2O/c22-21-23-17-11-13(12-6-2-1-3-7-12)10-16-18(17)19(24-21)14-8-4-5-9-15(14)20(16)25/h1-11H
InChIKeyMCDOMXMXUBAJLX-UHFFFAOYSA-N
XLogP5.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.79
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-phenylindeno[1,2-g]quinolin-10-one
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylbenzo[e]perimidin-7-one?
The IUPAC name of 2-chloro-5-phenylbenzo[e]perimidin-7-one (CID 163765774) is 2-chloro-5-phenylbenzo[e]perimidin-7-one.
What is the SMILES notation for 2-chloro-5-phenylbenzo[e]perimidin-7-one?
The canonical SMILES for 2-chloro-5-phenylbenzo[e]perimidin-7-one is O=C1c2ccccc2-c2nc(Cl)nc3cc(-c4ccccc4)cc1c23.
What is the InChIKey of 2-chloro-5-phenylbenzo[e]perimidin-7-one?
The InChIKey is MCDOMXMXUBAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClN2O/c22-21-23-17-11-13(12-6-2-1-3-7-12)10-16-18(17)19(24-21)14-8-4-5-9-15(14)20(16)25/h1-11H.
What are the key properties of 2-chloro-5-phenylbenzo[e]perimidin-7-one?
2-chloro-5-phenylbenzo[e]perimidin-7-one has a molecular weight of 342.79 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylbenzo[e]perimidin-7-one is sourced from PubChem (CID 163765774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).