4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

C15H12N2O2 — CID 3741669

IUPAC4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2O)=Nc2ccccc2N1
InChIInChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)
InChIKeyHUFCCRRBLQYUTK-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.86
Rot. Bonds1

About 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one

4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 3741669) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID3741669
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESO=C1CC(c2ccccc2O)=Nc2ccccc2N1
InChIInChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19)
InChIKeyHUFCCRRBLQYUTK-UHFFFAOYSA-N
XLogP2.86
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one (CID 3741669) is 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is O=C1CC(c2ccccc2O)=Nc2ccccc2N1.
What is the InChIKey of 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is HUFCCRRBLQYUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-8-4-1-5-10(14)13-9-15(19)17-12-7-3-2-6-11(12)16-13/h1-8,18H,9H2,(H,17,19).
What are the key properties of 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 252.27 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 3741669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).