1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one

C12H11N3O — CID 143209023

IUPAC1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one
SMILESCc1ncn2c1-c1ccccc1C(=O)NC2
InChIInChI=1S/C12H11N3O/c1-8-11-9-4-2-3-5-10(9)12(16)14-7-15(11)6-13-8/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCWWKHOOZBLKDNI-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.56
Rot. Bonds

About 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one

1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one (PubChem CID 143209023) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one.

Molecular Properties

Compound Name1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one
PubChem CID143209023
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one
SMILESCc1ncn2c1-c1ccccc1C(=O)NC2
InChIInChI=1S/C12H11N3O/c1-8-11-9-4-2-3-5-10(9)12(16)14-7-15(11)6-13-8/h2-6H,7H2,1H3,(H,14,16)
InChIKeyCWWKHOOZBLKDNI-UHFFFAOYSA-N
XLogP1.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one?
The IUPAC name of 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one (CID 143209023) is 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one.
What is the SMILES notation for 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one?
The canonical SMILES for 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one is Cc1ncn2c1-c1ccccc1C(=O)NC2.
What is the InChIKey of 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one?
The InChIKey is CWWKHOOZBLKDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-8-11-9-4-2-3-5-10(9)12(16)14-7-15(11)6-13-8/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one?
1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one has a molecular weight of 213.24 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydroimidazo[5,1-a][2,4]benzodiazepin-7-one is sourced from PubChem (CID 143209023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).