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

C20H19N3O5 — CID 38828547

IUPACmethyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C20H19N3O5/c1-11-7-13(28-17(11)19(25)27-2)10-23-18(24)16(22-20(23)26)8-12-9-21-15-6-4-3-5-14(12)15/h3-7,9,16,21H,8,10H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyGQSMWDZKJUPBAM-INIZCTEOSA-N
MW381.39 g/mol
LogP2.52
Rot. Bonds5

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

methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate (PubChem CID 38828547) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
PubChem CID38828547
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namemethyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1C
InChIInChI=1S/C20H19N3O5/c1-11-7-13(28-17(11)19(25)27-2)10-23-18(24)16(22-20(23)26)8-12-9-21-15-6-4-3-5-14(12)15/h3-7,9,16,21H,8,10H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyGQSMWDZKJUPBAM-INIZCTEOSA-N
XLogP2.52
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate with MolForge

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Related Compounds

(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(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-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198
N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7640132
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3933614
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 51564726
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3480729

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate (CID 38828547) is methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1C.
What is the InChIKey of methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is GQSMWDZKJUPBAM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-11-7-13(28-17(11)19(25)27-2)10-23-18(24)16(22-20(23)26)8-12-9-21-15-6-4-3-5-14(12)15/h3-7,9,16,21H,8,10H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 38828547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).