8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine

C21H22N4 — CID 155237187

IUPAC8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESCCc1cc2c(cc1CC)-n1c(C)cnc1CN=C2c1ccccn1
InChIInChI=1S/C21H22N4/c1-4-15-10-17-19(11-16(15)5-2)25-14(3)12-23-20(25)13-24-21(17)18-8-6-7-9-22-18/h6-12H,4-5,13H2,1-3H3
InChIKeyNVOHDLGUTVEKDD-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.05
Rot. Bonds3

About 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine

8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine (PubChem CID 155237187) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
PubChem CID155237187
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
SMILESCCc1cc2c(cc1CC)-n1c(C)cnc1CN=C2c1ccccn1
InChIInChI=1S/C21H22N4/c1-4-15-10-17-19(11-16(15)5-2)25-14(3)12-23-20(25)13-24-21(17)18-8-6-7-9-22-18/h6-12H,4-5,13H2,1-3H3
InChIKeyNVOHDLGUTVEKDD-UHFFFAOYSA-N
XLogP4.05
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine;ethane;methyl propanoate
CID 167507469
8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine;methyl 3-(8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl)-2-methylpropanoate
CID 158741247
ethyl 8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylate
CID 21266012
N,N-dimethyl-1-(9-nitro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)methanamine
CID 70090326
1-(chloromethyl)-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21495139
1-(8-chloro-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N-methylmethanamine
CID 21495141
(4S)-8-bromo-1-methyl-4-propyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 71142572
ethyl 3-[(4S)-8-ethyl-9-methoxy-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoate;4-methylbenzenesulfonic acid
CID 167640951
8-bromo-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine
CID 21487149
2-(7-bromo-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-1-yl)ethyl-diethylazanium chloride
CID 19866
8-bromo-1-(4-ethylpiperazin-1-yl)-6-pyridin-2-yl-9-(trifluoromethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21492833
3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]-2,2-difluoropropanoic acid
CID 178070384

Frequently Asked Questions

What is the IUPAC name of 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The IUPAC name of 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine (CID 155237187) is 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine.
What is the SMILES notation for 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The canonical SMILES for 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine is CCc1cc2c(cc1CC)-n1c(C)cnc1CN=C2c1ccccn1.
What is the InChIKey of 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
The InChIKey is NVOHDLGUTVEKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-4-15-10-17-19(11-16(15)5-2)25-14(3)12-23-20(25)13-24-21(17)18-8-6-7-9-22-18/h6-12H,4-5,13H2,1-3H3.
What are the key properties of 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine?
8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine has a molecular weight of 330.44 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-diethyl-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepine is sourced from PubChem (CID 155237187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).