11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one

C23H18N2O — CID 11695771

IUPAC11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one
SMILESCc1ccc(C2Nc3ccccc3NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C23H18N2O/c1-14-10-12-15(13-11-14)21-20-22(16-6-2-3-7-17(16)23(20)26)25-19-9-5-4-8-18(19)24-21/h2-13,21,24-25H,1H3
InChIKeyKXJFMYZCWKPQRE-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.18
Rot. Bonds1

About 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one

11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one (PubChem CID 11695771) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one.

Molecular Properties

Compound Name11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one
PubChem CID11695771
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one
SMILESCc1ccc(C2Nc3ccccc3NC3=C2C(=O)c2ccccc23)cc1
InChIInChI=1S/C23H18N2O/c1-14-10-12-15(13-11-14)21-20-22(16-6-2-3-7-17(16)23(20)26)25-19-9-5-4-8-18(19)24-21/h2-13,21,24-25H,1H3
InChIKeyKXJFMYZCWKPQRE-UHFFFAOYSA-N
XLogP5.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one?
The IUPAC name of 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one (CID 11695771) is 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one.
What is the SMILES notation for 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one?
The canonical SMILES for 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one is Cc1ccc(C2Nc3ccccc3NC3=C2C(=O)c2ccccc23)cc1.
What is the InChIKey of 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one?
The InChIKey is KXJFMYZCWKPQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-14-10-12-15(13-11-14)21-20-22(16-6-2-3-7-17(16)23(20)26)25-19-9-5-4-8-18(19)24-21/h2-13,21,24-25H,1H3.
What are the key properties of 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one?
11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one has a molecular weight of 338.41 g/mol, XLogP of 5.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-methylphenyl)-10,11-dihydro-5H-indeno[2,1-c][1,5]benzodiazepin-12-one is sourced from PubChem (CID 11695771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).