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

C14H14ClN3O — CID 10016265

IUPAC8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3
InChIKeyVSVKLTLXHHNTOE-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.67
Rot. Bonds1

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

8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10016265) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10016265
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3
InChIKeyVSVKLTLXHHNTOE-UHFFFAOYSA-N
XLogP2.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10016265) is 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is VSVKLTLXHHNTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-3-11-13-7-17(2)14(19)10-6-9(15)4-5-12(10)18(13)8-16-11/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 275.74 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-ethyl-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10016265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).