8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C19H25ClN4O — CID 10451197

IUPAC8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C
InChIInChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3
InChIKeyNHMRNEWBXOBCLY-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.73
Rot. Bonds4

About 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10451197) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10451197
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C
InChIInChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3
InChIKeyNHMRNEWBXOBCLY-UHFFFAOYSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10451197) is 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CC(C)N(Cc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2)C(C)C.
What is the InChIKey of 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is NHMRNEWBXOBCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-12(2)23(13(3)4)9-16-18-10-22(5)19(25)15-8-14(20)6-7-17(15)24(18)11-21-16/h6-8,11-13H,9-10H2,1-5H3.
What are the key properties of 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 360.89 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10451197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).