methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride

C24H30ClN3O3 — CID 18943654

IUPACmethyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)cc1.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-25-13-11-19-6-9-22(17-20(19)12-14-25)27-16-15-26(24(27)29)21-7-3-18(4-8-21)5-10-23(28)30-2;/h3-4,6-9,17H,5,10-16H2,1-2H3;1H
InChIKeyJDHNGPLIZUWZFN-UHFFFAOYSA-N
MW443.98 g/mol
LogP3.69
Rot. Bonds5

About methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride

methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride (PubChem CID 18943654) has the molecular formula C24H30ClN3O3 and a molecular weight of 443.98 g/mol. Its IUPAC name is methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride
PubChem CID18943654
Molecular FormulaC24H30ClN3O3
Molecular Weight443.98 g/mol
Exact Mass443.20
IUPAC Namemethyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride
SMILESCOC(=O)CCc1ccc(N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)cc1.Cl
InChIInChI=1S/C24H29N3O3.ClH/c1-25-13-11-19-6-9-22(17-20(19)12-14-25)27-16-15-26(24(27)29)21-7-3-18(4-8-21)5-10-23(28)30-2;/h3-4,6-9,17H,5,10-16H2,1-2H3;1H
InChIKeyJDHNGPLIZUWZFN-UHFFFAOYSA-N
XLogP3.69
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(4-{[2-(2-methylphenyl)pyrrolidinyl]carbonylamino}phenyl)acetate
CID 20895977
8-[3-(4-Fluorobenzyl)-2-oxo-benzimidazolin-1-yl]-caprylic acid methyl ester
CID 12961175
Methyl 3-[4-[4-methyl-2,5-dioxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate
CID 15817120
Methyl 3-[4-[1,1-dioxo-5-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,2,5-thiadiazolidin-2-yl]cyclohexyl]propanoate
CID 18943446
Methyl 3-[4-[2,4-dioxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate
CID 18943456
3-[3-fluoro-4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid
CID 18943531
Ethyl 2-methyl-3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazol-1-yl]phenyl]propanoate
CID 18943598
Methyl 3-[4-[2,5-dioxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate
CID 18943600
Methyl 3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazol-1-yl]cyclohexyl]propanoate
CID 18943601
Ethyl 3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazol-1-yl]phenyl]-3-phenylpropanoate
CID 18943602
Methyl 3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]cyclohexyl]propanoate
CID 18943618
Ethyl 2-methyl-3-[4-[2-oxo-3-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]imidazolidin-1-yl]phenyl]propanoate
CID 18943704

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride?
The IUPAC name of methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride (CID 18943654) is methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride is COC(=O)CCc1ccc(N2CCN(c3ccc4c(c3)CCN(C)CC4)C2=O)cc1.Cl.
What is the InChIKey of methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride?
The InChIKey is JDHNGPLIZUWZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.ClH/c1-25-13-11-19-6-9-22(17-20(19)12-14-25)27-16-15-26(24(27)29)21-7-3-18(4-8-21)5-10-23(28)30-2;/h3-4,6-9,17H,5,10-16H2,1-2H3;1H.
What are the key properties of methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride?
methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride has a molecular weight of 443.98 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoate;hydrochloride is sourced from PubChem (CID 18943654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).