1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine

C18H15N3 — CID 12802022

IUPAC1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1ncc2n1-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C18H15N3/c1-13-19-11-15-12-20-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)21(13)15/h2-11H,12H2,1H3
InChIKeyKXKXRTKCELUICN-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.53
Rot. Bonds1

About 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine

1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 12802022) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID12802022
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESCc1ncc2n1-c1ccccc1C(c1ccccc1)=NC2
InChIInChI=1S/C18H15N3/c1-13-19-11-15-12-20-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)21(13)15/h2-11H,12H2,1H3
InChIKeyKXKXRTKCELUICN-UHFFFAOYSA-N
XLogP3.53
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone
CID 12802042
8-bromo-6-(2-chlorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 70880326
ethane;methane;1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
CID 157349812
1-tert-butyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 21480468
1-acetyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 12570850
1-[(4-methylphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 3782732
1-methyl-6-(2-methylphenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 71101386
8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802015
8-chloro-3-(methoxymethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 12802019
1-(8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-N-methoxymethanimine
CID 54440462
8-(chloromethyl)-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 56978742
1-chloro-5-phenyl-2,3-dihydro-1,4-benzodiazepine
CID 154085559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 12802022) is 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine is Cc1ncc2n1-c1ccccc1C(c1ccccc1)=NC2.
What is the InChIKey of 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is KXKXRTKCELUICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-13-19-11-15-12-20-18(14-7-3-2-4-8-14)16-9-5-6-10-17(16)21(13)15/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine?
1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 273.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 12802022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).