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

C17H20ClN3O — CID 10381158

IUPAC8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyXYUNGPDLSILKBR-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.84
Rot. Bonds4

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

8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 10381158) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID10381158
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2
InChIInChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyXYUNGPDLSILKBR-UHFFFAOYSA-N
XLogP3.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

FG 8205
CID 129710
Ro 15-3505
CID 114888
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CID 19851586
8-Chloro-3-ethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10016265
8-Chloro-5-methyl-3-pentanoyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10042353
8-Chloro-3-diethylaminomethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10449469
8-Chloro-3-chloromethyl-5-methyl-4,5-dihydro-2,5,10b-triaza-benzo[e]azulen-6-one
CID 10469808
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
ZG 63
CID 192352
3-acetyl-8-chloro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10401926
8-chloro-3-[[di(propan-2-yl)amino]methyl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
CID 10451197
Pwz-029
CID 9971547

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 10381158) is 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCCCCc1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2.
What is the InChIKey of 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is XYUNGPDLSILKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-3-4-5-6-14-16-10-20(2)17(22)13-9-12(18)7-8-15(13)21(16)11-19-14/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 317.82 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methyl-3-pentyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 10381158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).