N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

C12H22Cl2N4O — CID 155972943

IUPACN-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCC(C)CNC(=O)c1cn2c(n1)CCNCC2.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(2)7-14-12(17)10-8-16-6-5-13-4-3-11(16)15-10;;/h8-9,13H,3-7H2,1-2H3,(H,14,17);2*1H
InChIKeyIPYSZGCFJOKRFR-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.26
Rot. Bonds3

About N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride

N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (PubChem CID 155972943) has the molecular formula C12H22Cl2N4O and a molecular weight of 309.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
PubChem CID155972943
Molecular FormulaC12H22Cl2N4O
Molecular Weight309.24 g/mol
Exact Mass308.12
IUPAC NameN-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCC(C)CNC(=O)c1cn2c(n1)CCNCC2.Cl.Cl
InChIInChI=1S/C12H20N4O.2ClH/c1-9(2)7-14-12(17)10-8-16-6-5-13-4-3-11(16)15-10;;/h8-9,13H,3-7H2,1-2H3,(H,14,17);2*1H
InChIKeyIPYSZGCFJOKRFR-UHFFFAOYSA-N
XLogP1.26
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (CID 155972943) is N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is CC(C)CNC(=O)c1cn2c(n1)CCNCC2.Cl.Cl.
What is the InChIKey of N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The InChIKey is IPYSZGCFJOKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.2ClH/c1-9(2)7-14-12(17)10-8-16-6-5-13-4-3-11(16)15-10;;/h8-9,13H,3-7H2,1-2H3,(H,14,17);2*1H.
What are the key properties of N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 155972943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).