5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride

C15H20ClN3O — CID 74830761

IUPAC5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
SMILESCN1C(=O)C(Cc2c[nH]c3ccccc23)NC1(C)C.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-15(2)17-13(14(19)18(15)3)8-10-9-16-12-7-5-4-6-11(10)12;/h4-7,9,13,16-17H,8H2,1-3H3;1H
InChIKeyYYTZVVHQTSYLLZ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.30
Rot. Bonds2

About 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride

5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride (PubChem CID 74830761) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
PubChem CID74830761
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
SMILESCN1C(=O)C(Cc2c[nH]c3ccccc23)NC1(C)C.Cl
InChIInChI=1S/C15H19N3O.ClH/c1-15(2)17-13(14(19)18(15)3)8-10-9-16-12-7-5-4-6-11(10)12;/h4-7,9,13,16-17H,8H2,1-3H3;1H
InChIKeyYYTZVVHQTSYLLZ-UHFFFAOYSA-N
XLogP2.30
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
3-benzyl-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 163112973
(3S)-3-(1H-indol-3-ylmethyl)-1-(2-phenylethyl)piperazin-2-one;hydrochloride
CID 70203042
(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
(3S)-3-(1H-indol-3-ylmethyl)piperazin-2-one;hydrochloride
CID 155822805
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 906675
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
3-benzyl-3-hydroxy-6-(1H-indol-3-ylmethyl)-1,4-dimethylpiperazine-2,5-dione
CID 90443800
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride?
The IUPAC name of 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride (CID 74830761) is 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride?
The canonical SMILES for 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride is CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1(C)C.Cl.
What is the InChIKey of 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride?
The InChIKey is YYTZVVHQTSYLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.ClH/c1-15(2)17-13(14(19)18(15)3)8-10-9-16-12-7-5-4-6-11(10)12;/h4-7,9,13,16-17H,8H2,1-3H3;1H.
What are the key properties of 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride?
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride is sourced from PubChem (CID 74830761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).