1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine

C21H21ClN4 — CID 21482267

IUPAC1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)n2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C21H21ClN4/c1-14-19-12-23-21(15-7-5-4-6-8-15)17-11-16(22)9-10-18(17)26(19)20(24-14)13-25(2)3/h4-11H,12-13H2,1-3H3
InChIKeyYEEXZSLTVQFVLG-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.25
Rot. Bonds3

About 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine

1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine (PubChem CID 21482267) has the molecular formula C21H21ClN4 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
PubChem CID21482267
Molecular FormulaC21H21ClN4
Molecular Weight364.88 g/mol
Exact Mass364.15
IUPAC Name1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)n2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2
InChIInChI=1S/C21H21ClN4/c1-14-19-12-23-21(15-7-5-4-6-8-15)17-11-16(22)9-10-18(17)26(19)20(24-14)13-25(2)3/h4-11H,12-13H2,1-3H3
InChIKeyYEEXZSLTVQFVLG-UHFFFAOYSA-N
XLogP4.25
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-3-(methoxymethyl)-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine
CID 12802019
8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802015
1-(8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl)-N-methoxymethanimine
CID 54440462
1-[8-chloro-6-(2-chlorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepin-1-yl]-N,N-dimethylmethanamine
CID 14357896
1H-1,2-benzodiazepine;1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
CID 70159122
8-chloro-1-(methoxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 12560614
2-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylpropan-1-amine
CID 12560622
8-chloro-4,4-dideuterio-1-methyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 72549343
7-chloro-1-ethyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 623112
8-chloro-N,N-diethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486014
8-chloro-N,N-dimethyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxamide
CID 21486010
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 67401336

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine (CID 21482267) is 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine is Cc1nc(CN(C)C)n2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2.
What is the InChIKey of 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine?
The InChIKey is YEEXZSLTVQFVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4/c1-14-19-12-23-21(15-7-5-4-6-8-15)17-11-16(22)9-10-18(17)26(19)20(24-14)13-25(2)3/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine?
1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine has a molecular weight of 364.88 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-3-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 21482267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).