(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione

C13H11Br2N3O2 — CID 162890732

IUPAC(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@H](Cc2c[nH]c3cc(Br)c(Br)cc23)C1=O
InChIInChI=1S/C13H11Br2N3O2/c1-18-12(19)11(17-13(18)20)2-6-5-16-10-4-9(15)8(14)3-7(6)10/h3-5,11,16H,2H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyVXKJNMYGUSWTKS-LLVKDONJSA-N
MW401.06 g/mol
LogP2.79
Rot. Bonds2

About (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione

(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 162890732) has the molecular formula C13H11Br2N3O2 and a molecular weight of 401.06 g/mol. Its IUPAC name is (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID162890732
Molecular FormulaC13H11Br2N3O2
Molecular Weight401.06 g/mol
Exact Mass398.92
IUPAC Name(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)N[C@H](Cc2c[nH]c3cc(Br)c(Br)cc23)C1=O
InChIInChI=1S/C13H11Br2N3O2/c1-18-12(19)11(17-13(18)20)2-6-5-16-10-4-9(15)8(14)3-7(6)10/h3-5,11,16H,2H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyVXKJNMYGUSWTKS-LLVKDONJSA-N
XLogP2.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.06
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-3-methylimidazolidine-2,4-dione
CID 10469232
(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
CID 71110493
(5R)-5-[(7-chloro-5-fluoro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione;methane
CID 158503902
5-[(6,7-dichloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
CID 57377386
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
5-[(7-chloro-1H-indol-3-yl)methyl]-3-(trideuteriomethyl)imidazolidine-2,4-dione
CID 86295625
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(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
(5S)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 34061337
3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 47006749
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione (CID 162890732) is (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is CN1C(=O)N[C@H](Cc2c[nH]c3cc(Br)c(Br)cc23)C1=O.
What is the InChIKey of (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is VXKJNMYGUSWTKS-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11Br2N3O2/c1-18-12(19)11(17-13(18)20)2-6-5-16-10-4-9(15)8(14)3-7(6)10/h3-5,11,16H,2H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione?
(5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 401.06 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5,6-dibromo-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 162890732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).