2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride

C8H15Cl2N3 — CID 136510294

IUPAC2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride
SMILESCc1cn2c(n1)NCCCC2.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-7-6-11-5-3-2-4-9-8(11)10-7;;/h6H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyXFFVUPXMQUOPEV-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.24
Rot. Bonds

About 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride

2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride (PubChem CID 136510294) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride
PubChem CID136510294
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride
SMILESCc1cn2c(n1)NCCCC2.Cl.Cl
InChIInChI=1S/C8H13N3.2ClH/c1-7-6-11-5-3-2-4-9-8(11)10-7;;/h6H,2-5H2,1H3,(H,9,10);2*1H
InChIKeyXFFVUPXMQUOPEV-UHFFFAOYSA-N
XLogP2.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride?
The IUPAC name of 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride (CID 136510294) is 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride.
What is the SMILES notation for 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride?
The canonical SMILES for 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride is Cc1cn2c(n1)NCCCC2.Cl.Cl.
What is the InChIKey of 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride?
The InChIKey is XFFVUPXMQUOPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-7-6-11-5-3-2-4-9-8(11)10-7;;/h6H,2-5H2,1H3,(H,9,10);2*1H.
What are the key properties of 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride?
2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,3]diazepine;dihydrochloride is sourced from PubChem (CID 136510294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).