N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

C32H26N4O3 — CID 44713993

IUPACN-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)c1
InChIInChI=1S/C32H26N4O3/c1-21-7-6-10-26(15-21)33-30(37)20-36-31(38)28(34-32(36)39)17-25-19-35(29-12-5-4-11-27(25)29)18-22-13-14-23-8-2-3-9-24(23)16-22/h2-17,19H,18,20H2,1H3,(H,33,37)(H,34,39)/b28-17+
InChIKeyAXXLTDYRJRWQPT-OGLMXYFKSA-N
MW514.59 g/mol
LogP5.68
Rot. Bonds6

About N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 44713993) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID44713993
Molecular FormulaC32H26N4O3
Molecular Weight514.59 g/mol
Exact Mass514.20
IUPAC NameN-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)c1
InChIInChI=1S/C32H26N4O3/c1-21-7-6-10-26(15-21)33-30(37)20-36-31(38)28(34-32(36)39)17-25-19-35(29-12-5-4-11-27(25)29)18-22-13-14-23-8-2-3-9-24(23)16-22/h2-17,19H,18,20H2,1H3,(H,33,37)(H,34,39)/b28-17+
InChIKeyAXXLTDYRJRWQPT-OGLMXYFKSA-N
XLogP5.68
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(Z)-[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]-N-(3-methylphenyl)acetamide
CID 22306749
2-[3-[[1-[2-(3-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]indol-1-yl]acetic acid
CID 3620946
2-[4-[[1-(cyanomethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 73372484
2-[4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 3389847
2-[(4E)-4-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 6519870
N-(3-methylphenyl)-2-[(4E)-4-[[2-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126107889
2-[(4E)-4-[(2,5-dimethyl-1-naphthalen-2-ylpyrrol-3-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 126108279
2-[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 126366851
(5E)-3-[(4-methylphenyl)methyl]-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126235278
(5E)-3-ethyl-5-[[1-[(3-methylphenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44714570
2-[4-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5079573
(5E)-5-[[1-[(4-fluorophenyl)methyl]indol-3-yl]methylidene]-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126251094

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide (CID 44713993) is N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cn(Cc4ccc5ccccc5c4)c4ccccc34)C2=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is AXXLTDYRJRWQPT-OGLMXYFKSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-21-7-6-10-26(15-21)33-30(37)20-36-31(38)28(34-32(36)39)17-25-19-35(29-12-5-4-11-27(25)29)18-22-13-14-23-8-2-3-9-24(23)16-22/h2-17,19H,18,20H2,1H3,(H,33,37)(H,34,39)/b28-17+.
What are the key properties of N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 514.59 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(4E)-4-[[1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 44713993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).