1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one

C21H24N4O — CID 19752560

IUPAC1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
SMILESNCCc1c[nH]c2ccc(CN3CCN(Cc4ccccc4)C3=O)cc12
InChIInChI=1S/C21H24N4O/c22-9-8-18-13-23-20-7-6-17(12-19(18)20)15-25-11-10-24(21(25)26)14-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14-15,22H2
InChIKeyZOMBZCGZLNCIFC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.11
Rot. Bonds6

About 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one

1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one (PubChem CID 19752560) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
PubChem CID19752560
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
SMILESNCCc1c[nH]c2ccc(CN3CCN(Cc4ccccc4)C3=O)cc12
InChIInChI=1S/C21H24N4O/c22-9-8-18-13-23-20-7-6-17(12-19(18)20)15-25-11-10-24(21(25)26)14-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14-15,22H2
InChIKeyZOMBZCGZLNCIFC-UHFFFAOYSA-N
XLogP3.11
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidine-2,4-dione;(Z)-but-2-enedioic acid;hydrate
CID 67855158
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
CID 67855202
1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-(2-phenylethyl)methanesulfonamide;hydrochloride
CID 13286067
bis[3-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-5-benzyl-2,4-dioxoimidazolidin-1-yl] (Z)-but-2-enedioate
CID 67855182
3-[(4-benzylpiperazin-1-yl)methyl]-1H-indol-5-amine
CID 18894
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-phenylpropanoic acid
CID 67100143
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one?
The IUPAC name of 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one (CID 19752560) is 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one.
What is the SMILES notation for 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one?
The canonical SMILES for 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one is NCCc1c[nH]c2ccc(CN3CCN(Cc4ccccc4)C3=O)cc12.
What is the InChIKey of 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one?
The InChIKey is ZOMBZCGZLNCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-9-8-18-13-23-20-7-6-17(12-19(18)20)15-25-11-10-24(21(25)26)14-16-4-2-1-3-5-16/h1-7,12-13,23H,8-11,14-15,22H2.
What are the key properties of 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one?
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one is sourced from PubChem (CID 19752560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).