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

C13H13N3O2 — CID 121403174

IUPAC(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2[nH]cc(C[C@H]3NC(=O)NC3=O)c2c1
InChIInChI=1S/C13H13N3O2/c1-7-2-3-10-9(4-7)8(6-14-10)5-11-12(17)16-13(18)15-11/h2-4,6,11,14H,5H2,1H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyIAKHTKVUVWMTHP-LLVKDONJSA-N
MW243.27 g/mol
LogP1.23
Rot. Bonds2

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

(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 121403174) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID121403174
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1ccc2[nH]cc(C[C@H]3NC(=O)NC3=O)c2c1
InChIInChI=1S/C13H13N3O2/c1-7-2-3-10-9(4-7)8(6-14-10)5-11-12(17)16-13(18)15-11/h2-4,6,11,14H,5H2,1H3,(H2,15,16,17,18)/t11-/m1/s1
InChIKeyIAKHTKVUVWMTHP-LLVKDONJSA-N
XLogP1.23
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-methyl-1H-indol-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 143089116
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
12,16-dimethyl-6-methylidene-9-[(5-methyl-1H-indol-3-yl)methyl]-3-(2-methylpropyl)-1,4,7,10-tetrazacyclohexadecane-2,5,8,11-tetrone
CID 59691318
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
3-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-one
CID 84630302
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 143030497
(5R)-5-[(4,7-dichloro-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 121403172
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
CID 19848863
2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (CID 121403174) is (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is Cc1ccc2[nH]cc(C[C@H]3NC(=O)NC3=O)c2c1.
What is the InChIKey of (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is IAKHTKVUVWMTHP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-2-3-10-9(4-7)8(6-14-10)5-11-12(17)16-13(18)15-11/h2-4,6,11,14H,5H2,1H3,(H2,15,16,17,18)/t11-/m1/s1.
What are the key properties of (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 243.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121403174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).