1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone

C20H17N3O — CID 12802042

IUPAC1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1)=NCc1cnc(C)n1-2
InChIInChI=1S/C20H17N3O/c1-13(24)16-8-9-19-18(10-16)20(15-6-4-3-5-7-15)22-12-17-11-21-14(2)23(17)19/h3-11H,12H2,1-2H3
InChIKeyBPNMFCDOOVIBKX-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.73
Rot. Bonds2

About 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone

1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone (PubChem CID 12802042) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone
PubChem CID12802042
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone
SMILESCC(=O)c1ccc2c(c1)C(c1ccccc1)=NCc1cnc(C)n1-2
InChIInChI=1S/C20H17N3O/c1-13(24)16-8-9-19-18(10-16)20(15-6-4-3-5-7-15)22-12-17-11-21-14(2)23(17)19/h3-11H,12H2,1-2H3
InChIKeyBPNMFCDOOVIBKX-UHFFFAOYSA-N
XLogP3.73
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone?
The IUPAC name of 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone (CID 12802042) is 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone?
The canonical SMILES for 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone is CC(=O)c1ccc2c(c1)C(c1ccccc1)=NCc1cnc(C)n1-2.
What is the InChIKey of 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone?
The InChIKey is BPNMFCDOOVIBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-13(24)16-8-9-19-18(10-16)20(15-6-4-3-5-7-15)22-12-17-11-21-14(2)23(17)19/h3-11H,12H2,1-2H3.
What are the key properties of 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone?
1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone has a molecular weight of 315.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-8-yl)ethanone is sourced from PubChem (CID 12802042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).