5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione

C21H22N4O2 — CID 67855202

IUPAC5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
SMILESNCCc1c[nH]c2ccc(CC3C(=O)NC(=O)N3Cc3ccccc3)cc12
InChIInChI=1S/C21H22N4O2/c22-9-8-16-12-23-18-7-6-15(10-17(16)18)11-19-20(26)24-21(27)25(19)13-14-4-2-1-3-5-14/h1-7,10,12,19,23H,8-9,11,13,22H2,(H,24,26,27)
InChIKeyPYMLNFVPCUNIMF-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds6

About 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione

5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione (PubChem CID 67855202) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
PubChem CID67855202
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
SMILESNCCc1c[nH]c2ccc(CC3C(=O)NC(=O)N3Cc3ccccc3)cc12
InChIInChI=1S/C21H22N4O2/c22-9-8-16-12-23-18-7-6-15(10-17(16)18)11-19-20(26)24-21(27)25(19)13-14-4-2-1-3-5-14/h1-7,10,12,19,23H,8-9,11,13,22H2,(H,24,26,27)
InChIKeyPYMLNFVPCUNIMF-UHFFFAOYSA-N
XLogP2.33
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione?
The IUPAC name of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione (CID 67855202) is 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione is NCCc1c[nH]c2ccc(CC3C(=O)NC(=O)N3Cc3ccccc3)cc12.
What is the InChIKey of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione?
The InChIKey is PYMLNFVPCUNIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-9-8-16-12-23-18-7-6-15(10-17(16)18)11-19-20(26)24-21(27)25(19)13-14-4-2-1-3-5-14/h1-7,10,12,19,23H,8-9,11,13,22H2,(H,24,26,27).
What are the key properties of 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione?
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione is sourced from PubChem (CID 67855202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).