2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride

C12H19Cl2N3O — CID 119878127

IUPAC2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CN)c2ccccc2C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-14-6-7-15(12(16)8-13)11-5-3-2-4-10(11)9-14;;/h2-5H,6-9,13H2,1H3;2*1H
InChIKeyQXZGIPNQDPFTSH-UHFFFAOYSA-N
MW292.21 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride

2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride (PubChem CID 119878127) has the molecular formula C12H19Cl2N3O and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
PubChem CID119878127
Molecular FormulaC12H19Cl2N3O
Molecular Weight292.21 g/mol
Exact Mass291.09
IUPAC Name2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride
SMILESCN1CCN(C(=O)CN)c2ccccc2C1.Cl.Cl
InChIInChI=1S/C12H17N3O.2ClH/c1-14-6-7-15(12(16)8-13)11-5-3-2-4-10(11)9-14;;/h2-5H,6-9,13H2,1H3;2*1H
InChIKeyQXZGIPNQDPFTSH-UHFFFAOYSA-N
XLogP1.27
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

4-amino-3-methoxy-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)butan-1-one;dihydrochloride
CID 120596557
3-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-3-phenylpropan-1-one;dihydrochloride
CID 119953711
3-(2-aminophenyl)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one;dihydrochloride
CID 120613000
3-cyclopropyl-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)propan-1-one
CID 71931108
2-(2-ethoxyphenoxy)-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone
CID 167894695
4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 146134668
2-[(2R)-1,4-dithian-2-yl]-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone
CID 97239804
(5S)-5-[2-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 167765151
(4-amino-2-chlorophenyl)-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)methanone
CID 19607927
(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-(oxolan-2-yl)methanone
CID 71933453
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride (CID 119878127) is 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride is CN1CCN(C(=O)CN)c2ccccc2C1.Cl.Cl.
What is the InChIKey of 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride?
The InChIKey is QXZGIPNQDPFTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2ClH/c1-14-6-7-15(12(16)8-13)11-5-3-2-4-10(11)9-14;;/h2-5H,6-9,13H2,1H3;2*1H.
What are the key properties of 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride?
2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride has a molecular weight of 292.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119878127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).