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

C13H12N4O2 — CID 10377690

IUPACN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide
SMILESCN1Cc2c(NC=O)ncn2-c2ccccc2C1=O
InChIInChI=1S/C13H12N4O2/c1-16-6-11-12(15-8-18)14-7-17(11)10-5-3-2-4-9(10)13(16)19/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyCOQVKIZTECRNLW-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.03
Rot. Bonds2

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

N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide (PubChem CID 10377690) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide
PubChem CID10377690
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide
SMILESCN1Cc2c(NC=O)ncn2-c2ccccc2C1=O
InChIInChI=1S/C13H12N4O2/c1-16-6-11-12(15-8-18)14-7-17(11)10-5-3-2-4-9(10)13(16)19/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyCOQVKIZTECRNLW-UHFFFAOYSA-N
XLogP1.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3-imidazol-1-ylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 866363
2-Methyl-7-oxo-4,5,6,7-tetrahydroimidazo(4,5,1-jk)[1,4]benzodiazepine
CID 576186
8-Chloro-3-ethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10016265
8-Chloro-3-diethylaminomethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10449469
8-Chloro-3-chloromethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10469808
ethyl 5,6-dihydro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 21764316
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
3-(3-Imidazol-1-ylpropyl)-2-methylquinazolin-4-one
CID 742176
8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10381158
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10451197
(2-Benzylamino-phenyl)-[1-(3H-imidazol-4-ylmethyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-methanone
CID 10622831
2-hydroxy-3-[3-(1H-imidazol-1-yl)propyl]quinazolin-4(3H)-one
CID 13952769

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide?
The IUPAC name of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide (CID 10377690) is N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide.
What is the SMILES notation for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide?
The canonical SMILES for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide is CN1Cc2c(NC=O)ncn2-c2ccccc2C1=O.
What is the InChIKey of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide?
The InChIKey is COQVKIZTECRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-16-6-11-12(15-8-18)14-7-17(11)10-5-3-2-4-9(10)13(16)19/h2-5,7-8H,6H2,1H3,(H,15,18).
What are the key properties of N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide?
N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide has a molecular weight of 256.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)formamide is sourced from PubChem (CID 10377690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).