3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C19H14N4O2 — CID 10065207

IUPAC3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc2C1=O
InChIInChI=1S/C19H14N4O2/c1-22-10-15-17(18-21-13-7-3-5-9-16(13)25-18)20-11-23(15)14-8-4-2-6-12(14)19(22)24/h2-9,11H,10H2,1H3
InChIKeyBCEGCXZGEXLFIL-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.27
Rot. Bonds1

About 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10065207) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10065207
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCN1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc2C1=O
InChIInChI=1S/C19H14N4O2/c1-22-10-15-17(18-21-13-7-3-5-9-16(13)25-18)20-11-23(15)14-8-4-2-6-12(14)19(22)24/h2-9,11H,10H2,1H3
InChIKeyBCEGCXZGEXLFIL-UHFFFAOYSA-N
XLogP3.27
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10065207) is 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CN1Cc2c(-c3nc4ccccc4o3)ncn2-c2ccccc2C1=O.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is BCEGCXZGEXLFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-22-10-15-17(18-21-13-7-3-5-9-16(13)25-18)20-11-23(15)14-8-4-2-6-12(14)19(22)24/h2-9,11H,10H2,1H3.
What are the key properties of 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 330.35 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10065207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).