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

C17H21ClN4O — CID 10449469

IUPAC8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyDXHZIQQVBBPMDE-UHFFFAOYSA-N
MW332.84 g/mol
LogP2.95
Rot. Bonds4

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

8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10449469) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10449469
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyDXHZIQQVBBPMDE-UHFFFAOYSA-N
XLogP2.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one with MolForge

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Related Compounds

FG 8205
CID 129710
Evt-201
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ZG 63
CID 192352
8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
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3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10401926
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10449469) is 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCN(CC)Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is DXHZIQQVBBPMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-21(5-2)9-14-16-10-20(3)17(23)13-8-12(18)6-7-15(13)22(16)11-19-14/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 332.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(diethylaminomethyl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10449469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).