methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate

C24H26N4O4 — CID 10478047

IUPACmethyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-23(30)17-5-2-15(3-6-17)13-21-22(29)28(24(31)27-21)11-9-16-4-7-20-19(12-16)18(8-10-25)14-26-20/h2-7,12,14,21,26H,8-11,13,25H2,1H3,(H,27,31)
InChIKeyKVOGJECMOCBCJV-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.16
Rot. Bonds8

About methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate

methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate (PubChem CID 10478047) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate
PubChem CID10478047
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namemethyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)cc1
InChIInChI=1S/C24H26N4O4/c1-32-23(30)17-5-2-15(3-6-17)13-21-22(29)28(24(31)27-21)11-9-16-4-7-20-19(12-16)18(8-10-25)14-26-20/h2-7,12,14,21,26H,8-11,13,25H2,1H3,(H,27,31)
InChIKeyKVOGJECMOCBCJV-UHFFFAOYSA-N
XLogP2.16
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10094407
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
4-[[4-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide;but-2-enedioic acid
CID 70382763
N-[3-[[1-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10322070
methyl 4-[(4-benzyl-2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 4601141
4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
CID 56989453
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
4-[[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 24606105
3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-prop-2-enylpropanamide
CID 51808572
5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-3-[(4-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 10412986
N-heptyl-3-[(4R)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 98399429
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-[1-[2-(2-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75356728

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate (CID 10478047) is methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate is COC(=O)c1ccc(CC2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)cc1.
What is the InChIKey of methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate?
The InChIKey is KVOGJECMOCBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-23(30)17-5-2-15(3-6-17)13-21-22(29)28(24(31)27-21)11-9-16-4-7-20-19(12-16)18(8-10-25)14-26-20/h2-7,12,14,21,26H,8-11,13,25H2,1H3,(H,27,31).
What are the key properties of methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate?
methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate has a molecular weight of 434.50 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate is sourced from PubChem (CID 10478047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).