7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum

C16H16ClMoN3O5 — CID 88657101

IUPAC7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum
SMILESC/N=C1/CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1.O=[Mo](=O)(O)O
InChIInChI=1S/C16H14ClN3O.Mo.2H2O.2O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;;;;;/h2-9,21H,10H2,1H3;;2*1H2;;/q;+2;;;;/p-2/b18-15-;;;;;
InChIKeyMLMUAOKGBFVQGO-CHHQBXIXSA-L
MW461.71 g/mol
LogP0.50
Rot. Bonds1

About 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum

7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum (PubChem CID 88657101) has the molecular formula C16H16ClMoN3O5 and a molecular weight of 461.71 g/mol. Its IUPAC name is 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum.

Molecular Properties

Compound Name7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum
PubChem CID88657101
Molecular FormulaC16H16ClMoN3O5
Molecular Weight461.71 g/mol
Exact Mass462.98
IUPAC Name7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum
SMILESC/N=C1/CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1.O=[Mo](=O)(O)O
InChIInChI=1S/C16H14ClN3O.Mo.2H2O.2O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;;;;;/h2-9,21H,10H2,1H3;;2*1H2;;/q;+2;;;;/p-2/b18-15-;;;;;
InChIKeyMLMUAOKGBFVQGO-CHHQBXIXSA-L
XLogP0.50
TPSA122.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.71
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(butylamino)ethanol;7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
CID 174930791
7-chloro-5-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-4-hydroxy-3H-1,4-benzodiazepin-2-one
CID 76974618
7-chloro-4-hydroxy-5-phenyl-N-prop-2-enyl-3H-1,4-benzodiazepin-2-imine
CID 21396041
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
CID 87397375
7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine;hydrochloride
CID 12569591
5-chloro-3-phenylindol-2-one
CID 70511404
6-chloro-3-phenyl-2H-quinoxaline-1-carbaldehyde
CID 174507845
N-(5-chloro-2-phenylphenyl)acetamide
CID 11425106
(E)-4-(6-chloro-4-phenylcinnolin-3-yl)but-3-en-2-one
CID 154700727
3-(3-benzyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-chloroindol-2-one
CID 1360153
5-chloro-2-phenyl-3H-indole
CID 12835738
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum?
The IUPAC name of 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum (CID 88657101) is 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum.
What is the SMILES notation for 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum?
The canonical SMILES for 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum is C/N=C1/CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1.O=[Mo](=O)(O)O.
What is the InChIKey of 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum?
The InChIKey is MLMUAOKGBFVQGO-CHHQBXIXSA-L. The full InChI is InChI=1S/C16H14ClN3O.Mo.2H2O.2O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;;;;;/h2-9,21H,10H2,1H3;;2*1H2;;/q;+2;;;;/p-2/b18-15-;;;;;.
What are the key properties of 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum?
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum has a molecular weight of 461.71 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;dihydroxy(dioxo)molybdenum is sourced from PubChem (CID 88657101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).