7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine

C16H15ClN2 — CID 4041

💊View drug profile → medazepam
IUPAC7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChIKeyYLCXGBZIZBEVPZ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.63
Rot. Bonds1

About 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine

7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine (PubChem CID 4041) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine.

Molecular Properties

Compound Name7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
PubChem CID4041
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine
SMILESCN1CCN=C(c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
InChIKeyYLCXGBZIZBEVPZ-UHFFFAOYSA-N
XLogP3.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine 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

Diazepam
CID 3016
Nordiazepam
CID 2997
Flurazepam
CID 3393
Ro 5-4864
CID 1688
Prazepam
CID 4890
Quazepam
CID 4999
Temazepam
CID 5391
Halazepam
CID 31640
Pinazepam
CID 40391
Fludiazepam
CID 3369
Chlorodiazepam
CID 76168
Flurazepam Hydrochloride
CID 14434

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The IUPAC name of 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine (CID 4041) is 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine.
What is the SMILES notation for 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The canonical SMILES for 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine is CN1CCN=C(c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
The InChIKey is YLCXGBZIZBEVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3.
What are the key properties of 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine?
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine has a molecular weight of 270.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepine is sourced from PubChem (CID 4041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).