[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane

C18H18ClFN2OSi — CID 91743850

IUPAC[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C18H18ClFN2OSi/c1-24(2,3)23-17-11-21-18(13-6-4-5-7-15(13)20)14-10-12(19)8-9-16(14)22-17/h4-10H,11H2,1-3H3
InChIKeyMBEIVOZTUIDFGV-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.21
Rot. Bonds2

About [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane

[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane (PubChem CID 91743850) has the molecular formula C18H18ClFN2OSi and a molecular weight of 360.89 g/mol. Its IUPAC name is [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane
PubChem CID91743850
Molecular FormulaC18H18ClFN2OSi
Molecular Weight360.89 g/mol
Exact Mass360.09
IUPAC Name[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1
InChIInChI=1S/C18H18ClFN2OSi/c1-24(2,3)23-17-11-21-18(13-6-4-5-7-15(13)20)14-10-12(19)8-9-16(14)22-17/h4-10H,11H2,1-3H3
InChIKeyMBEIVOZTUIDFGV-UHFFFAOYSA-N
XLogP5.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-Chloro-2-methoxy-5-phenyl-3H-1,4-benzodiazepine
CID 624942
3H-1,4-Benzodiazepine, 7-chloro-5-phenyl-
CID 27855
7-chloro-5-(2-fluorophenyl)-2-methylthio-3H-1,4-benzodiazepine
CID 15499283
7-chloro-5-(2-fluorophenyl)-2-(nitromethyl)-3H-1,4-benzodiazepine
CID 54029321
7-chloro-5-(4-fluorophenyl)-2-methylsulfanyl-3H-1,4-benzodiazepine
CID 15499284
7-Chloro-2-methyl-amino-5-phenyl-3h-1,4-benzodiazepine
CID 129733634
tert-butyl-[[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy]-dimethylsilane
CID 91747112
1,3-Dimethyl-2-methoxy-5-(2-fluorophenyl)-7-chloro-1,4(1H)-benzodiazepine
CID 628896
CID 13046971
CID 13046971
7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepine
CID 14419889
7-chloro-2-ethoxy-5-(2-fluorophenyl)-3H-1-benzazepine
CID 20449971
CID 21789016
CID 21789016

Frequently Asked Questions

What is the IUPAC name of [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane?
The IUPAC name of [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane (CID 91743850) is [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane?
The canonical SMILES for [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1.
What is the InChIKey of [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane?
The InChIKey is MBEIVOZTUIDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2OSi/c1-24(2,3)23-17-11-21-18(13-6-4-5-7-15(13)20)14-10-12(19)8-9-16(14)22-17/h4-10H,11H2,1-3H3.
What are the key properties of [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane?
[7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane has a molecular weight of 360.89 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 91743850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).