methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate

C14H14N4O3 — CID 11778733

IUPACmethyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate
SMILESCOC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H14N4O3/c1-17-7-11-12(16-14(20)21-2)15-8-18(11)10-6-4-3-5-9(10)13(17)19/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyJPMOALFZJLKEKW-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds1

About methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate

methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate (PubChem CID 11778733) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate
PubChem CID11778733
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namemethyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate
SMILESCOC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2
InChIInChI=1S/C14H14N4O3/c1-17-7-11-12(16-14(20)21-2)15-8-18(11)10-6-4-3-5-9(10)13(17)19/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyJPMOALFZJLKEKW-UHFFFAOYSA-N
XLogP1.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate?
The IUPAC name of methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate (CID 11778733) is methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate.
What is the SMILES notation for methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate?
The canonical SMILES for methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate is COC(=O)Nc1ncn2c1CN(C)C(=O)c1ccccc1-2.
What is the InChIKey of methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate?
The InChIKey is JPMOALFZJLKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-17-7-11-12(16-14(20)21-2)15-8-18(11)10-6-4-3-5-9(10)13(17)19/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate?
methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate has a molecular weight of 286.29 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)carbamate is sourced from PubChem (CID 11778733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).