12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

C22H16N2O — CID 134946783

IUPAC12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
SMILESO=C1c2ccccc2NC(c2ccccc2)c2cc3ccccc3n21
InChIInChI=1S/C22H16N2O/c25-22-17-11-5-6-12-18(17)23-21(15-8-2-1-3-9-15)20-14-16-10-4-7-13-19(16)24(20)22/h1-14,21,23H
InChIKeyOQPMWHUCDGTMDF-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.84
Rot. Bonds1

About 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one (PubChem CID 134946783) has the molecular formula C22H16N2O and a molecular weight of 324.38 g/mol. Its IUPAC name is 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
PubChem CID134946783
Molecular FormulaC22H16N2O
Molecular Weight324.38 g/mol
Exact Mass324.13
IUPAC Name12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
SMILESO=C1c2ccccc2NC(c2ccccc2)c2cc3ccccc3n21
InChIInChI=1S/C22H16N2O/c25-22-17-11-5-6-12-18(17)23-21(15-8-2-1-3-9-15)20-14-16-10-4-7-13-19(16)24(20)22/h1-14,21,23H
InChIKeyOQPMWHUCDGTMDF-UHFFFAOYSA-N
XLogP4.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one?
The IUPAC name of 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one (CID 134946783) is 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one.
What is the SMILES notation for 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one?
The canonical SMILES for 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one is O=C1c2ccccc2NC(c2ccccc2)c2cc3ccccc3n21.
What is the InChIKey of 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one?
The InChIKey is OQPMWHUCDGTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O/c25-22-17-11-5-6-12-18(17)23-21(15-8-2-1-3-9-15)20-14-16-10-4-7-13-19(16)24(20)22/h1-14,21,23H.
What are the key properties of 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one?
12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one has a molecular weight of 324.38 g/mol, XLogP of 4.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-11,12-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one is sourced from PubChem (CID 134946783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).