N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide

C21H19N5O4 — CID 166221820

IUPACN'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide
SMILESCC1(c2ccc(CNC(=O)C(=O)Nc3cccc4cc[nH]c34)cc2)NC(=O)NC1=O
InChIInChI=1S/C21H19N5O4/c1-21(19(29)25-20(30)26-21)14-7-5-12(6-8-14)11-23-17(27)18(28)24-15-4-2-3-13-9-10-22-16(13)15/h2-10,22H,11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29,30)
InChIKeyNUJLEEKXPXKUEC-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.48
Rot. Bonds4

About N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide

N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide (PubChem CID 166221820) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide.

Molecular Properties

Compound NameN'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide
PubChem CID166221820
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide
SMILESCC1(c2ccc(CNC(=O)C(=O)Nc3cccc4cc[nH]c34)cc2)NC(=O)NC1=O
InChIInChI=1S/C21H19N5O4/c1-21(19(29)25-20(30)26-21)14-7-5-12(6-8-14)11-23-17(27)18(28)24-15-4-2-3-13-9-10-22-16(13)15/h2-10,22H,11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29,30)
InChIKeyNUJLEEKXPXKUEC-UHFFFAOYSA-N
XLogP1.48
TPSA132.19 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(1H-indol-7-yl)urea
CID 10172203
1-[3-(3,4-difluorophenyl)phenyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166340548
N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-1'-carboxamide
CID 167856004
1-(1H-indol-7-yl)-3-[4-(1H-indol-7-ylcarbamoylamino)butyl]urea
CID 139042864
N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]-3-phenyl-2,3-dihydroindole-1-carboxamide
CID 167801688
5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 4962033
N-[(4-chlorophenyl)methyl]-N'-(1H-indol-4-yl)oxamide
CID 39309484
(5R)-5-methyl-5-[4-(3-methylbutyl)phenyl]imidazolidine-2,4-dione
CID 767950
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
N-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-benzofuran-2-carboxamide
CID 75403122
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241

Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide?
The IUPAC name of N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide (CID 166221820) is N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide.
What is the SMILES notation for N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide?
The canonical SMILES for N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide is CC1(c2ccc(CNC(=O)C(=O)Nc3cccc4cc[nH]c34)cc2)NC(=O)NC1=O.
What is the InChIKey of N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide?
The InChIKey is NUJLEEKXPXKUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-21(19(29)25-20(30)26-21)14-7-5-12(6-8-14)11-23-17(27)18(28)24-15-4-2-3-13-9-10-22-16(13)15/h2-10,22H,11H2,1H3,(H,23,27)(H,24,28)(H2,25,26,29,30).
What are the key properties of N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide?
N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide has a molecular weight of 405.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-7-yl)-N-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]oxamide is sourced from PubChem (CID 166221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).