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

C17H18ClN3O2 — CID 10042353

IUPAC8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3
InChIKeyNYHQSWXKALTJCU-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.48
Rot. Bonds4

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

8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10042353) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10042353
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3
InChIKeyNYHQSWXKALTJCU-UHFFFAOYSA-N
XLogP3.48
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10042353) is 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCCCC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is NYHQSWXKALTJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-3-4-5-15(22)16-14-9-20(2)17(23)12-8-11(18)6-7-13(12)21(14)10-19-16/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 331.80 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-3-pentanoyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10042353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).