4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C20H18N4O3 — CID 24606105

IUPAC4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H18N4O3/c21-18(25)13-7-5-12(6-8-13)11-24-19(26)17(23-20(24)27)9-14-10-22-16-4-2-1-3-15(14)16/h1-8,10,17,22H,9,11H2,(H2,21,25)(H,23,27)
InChIKeyNARJHAOKNBVWHD-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.93
Rot. Bonds5

About 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 24606105) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID24606105
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H18N4O3/c21-18(25)13-7-5-12(6-8-13)11-24-19(26)17(23-20(24)27)9-14-10-22-16-4-2-1-3-15(14)16/h1-8,10,17,22H,9,11H2,(H2,21,25)(H,23,27)
InChIKeyNARJHAOKNBVWHD-UHFFFAOYSA-N
XLogP1.93
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(5S)-3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 11744729
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(2R)-3-amino-2-[2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]but-3-enenitrile
CID 2426481
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 124906480
N,N-di(butan-2-yl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47009783
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 24606105) is 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is NARJHAOKNBVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c21-18(25)13-7-5-12(6-8-13)11-24-19(26)17(23-20(24)27)9-14-10-22-16-4-2-1-3-15(14)16/h1-8,10,17,22H,9,11H2,(H2,21,25)(H,23,27).
What are the key properties of 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 24606105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).