4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one

C16H14N2O2 — CID 135453908

IUPAC4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)NC(=O)CC(c1ccccc1O)=N2
InChIInChI=1S/C16H14N2O2/c1-10-6-7-12-14(8-10)18-16(20)9-13(17-12)11-4-2-3-5-15(11)19/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyLYZXYNJSADGROK-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds1

About 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one

4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one (PubChem CID 135453908) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
PubChem CID135453908
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one
SMILESCc1ccc2c(c1)NC(=O)CC(c1ccccc1O)=N2
InChIInChI=1S/C16H14N2O2/c1-10-6-7-12-14(8-10)18-16(20)9-13(17-12)11-4-2-3-5-15(11)19/h2-8,19H,9H2,1H3,(H,18,20)
InChIKeyLYZXYNJSADGROK-UHFFFAOYSA-N
XLogP3.16
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The IUPAC name of 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one (CID 135453908) is 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one.
What is the SMILES notation for 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The canonical SMILES for 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one is Cc1ccc2c(c1)NC(=O)CC(c1ccccc1O)=N2.
What is the InChIKey of 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one?
The InChIKey is LYZXYNJSADGROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-6-7-12-14(8-10)18-16(20)9-13(17-12)11-4-2-3-5-15(11)19/h2-8,19H,9H2,1H3,(H,18,20).
What are the key properties of 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one?
4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-8-methyl-1,3-dihydro-1,5-benzodiazepin-2-one is sourced from PubChem (CID 135453908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).