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

C15H20Cl2N4O — CID 155971749

IUPACN-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccccc1)c1cn2c(n1)CCNCC2
InChIInChI=1S/C15H18N4O.2ClH/c20-15(17-10-12-4-2-1-3-5-12)13-11-19-9-8-16-7-6-14(19)18-13;;/h1-5,11,16H,6-10H2,(H,17,20);2*1H
InChIKeyZQCQVSBALCEADT-UHFFFAOYSA-N
MW343.26 g/mol
LogP1.80
Rot. Bonds3

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

N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (PubChem CID 155971749) has the molecular formula C15H20Cl2N4O and a molecular weight of 343.26 g/mol. Its IUPAC name is N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
PubChem CID155971749
Molecular FormulaC15H20Cl2N4O
Molecular Weight343.26 g/mol
Exact Mass342.10
IUPAC NameN-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccccc1)c1cn2c(n1)CCNCC2
InChIInChI=1S/C15H18N4O.2ClH/c20-15(17-10-12-4-2-1-3-5-12)13-11-19-9-8-16-7-6-14(19)18-13;;/h1-5,11,16H,6-10H2,(H,17,20);2*1H
InChIKeyZQCQVSBALCEADT-UHFFFAOYSA-N
XLogP1.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 155938715
N-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155972943
N-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155498932
N-(2,2-dimethylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155917461
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 155937998
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155495465
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 163333847
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155503014
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155939061
(6R)-N-[(4-fluorophenyl)methyl]-6-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93009766
N-[(4-propan-2-ylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838020
N-[(4-methylsulfanylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 53167923

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The IUPAC name of N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride (CID 155971749) is N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccccc1)c1cn2c(n1)CCNCC2.
What is the InChIKey of N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
The InChIKey is ZQCQVSBALCEADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.2ClH/c20-15(17-10-12-4-2-1-3-5-12)13-11-19-9-8-16-7-6-14(19)18-13;;/h1-5,11,16H,6-10H2,(H,17,20);2*1H.
What are the key properties of N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride?
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 155971749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).