5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride

C16H23ClN4O2 — CID 119921165

IUPAC5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)NC(=O)N(CCN2CCNCc3ccccc32)C1=O.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-16(2)14(21)20(15(22)18-16)10-9-19-8-7-17-11-12-5-3-4-6-13(12)19;/h3-6,17H,7-11H2,1-2H3,(H,18,22);1H
InChIKeyBPGXPRUSUVPWTA-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.35
Rot. Bonds3

About 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride

5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride (PubChem CID 119921165) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
PubChem CID119921165
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride
SMILESCC1(C)NC(=O)N(CCN2CCNCc3ccccc32)C1=O.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-16(2)14(21)20(15(22)18-16)10-9-19-8-7-17-11-12-5-3-4-6-13(12)19;/h3-6,17H,7-11H2,1-2H3,(H,18,22);1H
InChIKeyBPGXPRUSUVPWTA-UHFFFAOYSA-N
XLogP1.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride (CID 119921165) is 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride is CC1(C)NC(=O)N(CCN2CCNCc3ccccc32)C1=O.Cl.
What is the InChIKey of 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride?
The InChIKey is BPGXPRUSUVPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-16(2)14(21)20(15(22)18-16)10-9-19-8-7-17-11-12-5-3-4-6-13(12)19;/h3-6,17H,7-11H2,1-2H3,(H,18,22);1H.
What are the key properties of 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride?
5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119921165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).