N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C24H26Cl2N4O3 — CID 41139200

IUPACN-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O
InChIInChI=1S/C24H26Cl2N4O3/c1-24(19-11-6-16(25)14-20(19)26)22(32)30(23(33)28-24)15-21(31)27-17-7-9-18(10-8-17)29-12-4-2-3-5-13-29/h6-11,14H,2-5,12-13,15H2,1H3,(H,27,31)(H,28,33)/t24-/m0/s1
InChIKeyJMHGLXGUUJPPQV-DEOSSOPVSA-N
MW489.40 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 41139200) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID41139200
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O
InChIInChI=1S/C24H26Cl2N4O3/c1-24(19-11-6-16(25)14-20(19)26)22(32)30(23(33)28-24)15-21(31)27-17-7-9-18(10-8-17)29-12-4-2-3-5-13-29/h6-11,14H,2-5,12-13,15H2,1H3,(H,27,31)(H,28,33)/t24-/m0/s1
InChIKeyJMHGLXGUUJPPQV-DEOSSOPVSA-N
XLogP4.78
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42921192
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42918889
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 42897977
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 4804699
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2703018
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2081835
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703032
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 41139200) is N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(N3CCCCCC3)cc2)C1=O.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is JMHGLXGUUJPPQV-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-24(19-11-6-16(25)14-20(19)26)22(32)30(23(33)28-24)15-21(31)27-17-7-9-18(10-8-17)29-12-4-2-3-5-13-29/h6-11,14H,2-5,12-13,15H2,1H3,(H,27,31)(H,28,33)/t24-/m0/s1.
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 489.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 41139200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).