8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C17H19N3O2 — CID 46214570

IUPAC8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOCc1ncn2c1CN(C)C(=O)c1cc(C3CC3)ccc1-2
InChIInChI=1S/C17H19N3O2/c1-19-8-16-14(9-22-2)18-10-20(16)15-6-5-12(11-3-4-11)7-13(15)17(19)21/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyCUIREQJJTXRNKQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.48
Rot. Bonds3

About 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 46214570) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID46214570
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOCc1ncn2c1CN(C)C(=O)c1cc(C3CC3)ccc1-2
InChIInChI=1S/C17H19N3O2/c1-19-8-16-14(9-22-2)18-10-20(16)15-6-5-12(11-3-4-11)7-13(15)17(19)21/h5-7,10-11H,3-4,8-9H2,1-2H3
InChIKeyCUIREQJJTXRNKQ-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 46214570) is 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is COCc1ncn2c1CN(C)C(=O)c1cc(C3CC3)ccc1-2.
What is the InChIKey of 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is CUIREQJJTXRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-8-16-14(9-22-2)18-10-20(16)15-6-5-12(11-3-4-11)7-13(15)17(19)21/h5-7,10-11H,3-4,8-9H2,1-2H3.
What are the key properties of 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(methoxymethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 46214570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).