4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one

C16H22N4O — CID 56989453

IUPAC4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1CCc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C16H22N4O/c1-10-14(20-16(21)19-10)4-2-11-3-5-15-13(8-11)12(6-7-17)9-18-15/h3,5,8-10,14,18H,2,4,6-7,17H2,1H3,(H2,19,20,21)
InChIKeyKYYYESQGCHKCJC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.67
Rot. Bonds5

About 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one

4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one (PubChem CID 56989453) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
PubChem CID56989453
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one
SMILESCC1NC(=O)NC1CCc1ccc2[nH]cc(CCN)c2c1
InChIInChI=1S/C16H22N4O/c1-10-14(20-16(21)19-10)4-2-11-3-5-15-13(8-11)12(6-7-17)9-18-15/h3,5,8-10,14,18H,2,4,6-7,17H2,1H3,(H2,19,20,21)
InChIKeyKYYYESQGCHKCJC-UHFFFAOYSA-N
XLogP1.67
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
methyl 4-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]benzoate
CID 10478047
2-[2-[4-[3-(2-aminoethyl)-1H-indol-5-yl]butoxy]ethoxy]ethanethiol
CID 142098472
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
N-[3-[[1-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]acetamide
CID 10094407
1-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-benzylimidazolidin-2-one
CID 19752560
5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1-benzylimidazolidine-2,4-dione
CID 67855202
2-[5-[(2-methylimidazol-1-yl)methyl]-1H-indol-3-yl]ethanamine
CID 10106373
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one?
The IUPAC name of 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one (CID 56989453) is 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one.
What is the SMILES notation for 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one?
The canonical SMILES for 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one is CC1NC(=O)NC1CCc1ccc2[nH]cc(CCN)c2c1.
What is the InChIKey of 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one?
The InChIKey is KYYYESQGCHKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-14(20-16(21)19-10)4-2-11-3-5-15-13(8-11)12(6-7-17)9-18-15/h3,5,8-10,14,18H,2,4,6-7,17H2,1H3,(H2,19,20,21).
What are the key properties of 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one?
4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one has a molecular weight of 286.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-aminoethyl)-1H-indol-5-yl]ethyl]-5-methylimidazolidin-2-one is sourced from PubChem (CID 56989453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).