potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride

C15H11Cl2KN2O2 — CID 175366173

IUPACpotassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O.[H-].[K+]
InChIInChI=1S/C15H10Cl2N2O2.K.H/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17;;/h1-7,15,21H,(H,18,20);;/q;+1;-1
InChIKeyJYIVDQACHZTNNB-UHFFFAOYSA-N
MW361.27 g/mol
LogP0.22
Rot. Bonds1

About potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride

potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride (PubChem CID 175366173) has the molecular formula C15H11Cl2KN2O2 and a molecular weight of 361.27 g/mol. Its IUPAC name is potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride.

Molecular Properties

Compound Namepotassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
PubChem CID175366173
Molecular FormulaC15H11Cl2KN2O2
Molecular Weight361.27 g/mol
Exact Mass359.98
IUPAC Namepotassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride
SMILESO=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O.[H-].[K+]
InChIInChI=1S/C15H10Cl2N2O2.K.H/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17;;/h1-7,15,21H,(H,18,20);;/q;+1;-1
InChIKeyJYIVDQACHZTNNB-UHFFFAOYSA-N
XLogP0.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride?
The IUPAC name of potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride (CID 175366173) is potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride.
What is the SMILES notation for potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride?
The canonical SMILES for potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride is O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1O.[H-].[K+].
What is the InChIKey of potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride?
The InChIKey is JYIVDQACHZTNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2.K.H/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17;;/h1-7,15,21H,(H,18,20);;/q;+1;-1.
What are the key properties of potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride?
potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride has a molecular weight of 361.27 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;7-chloro-5-(2-chlorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one;hydride is sourced from PubChem (CID 175366173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).