(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione

C14H15N3O2 — CID 71110493

IUPAC(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc2c(C[C@H]3NC(=O)N(C)C3=O)c[nH]c12
InChIInChI=1S/C14H15N3O2/c1-8-4-3-5-10-9(7-15-12(8)10)6-11-13(18)17(2)14(19)16-11/h3-5,7,11,15H,6H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyBVGLUUAWBVHTFR-LLVKDONJSA-N
MW257.29 g/mol
LogP1.57
Rot. Bonds2

About (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione

(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 71110493) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID71110493
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cccc2c(C[C@H]3NC(=O)N(C)C3=O)c[nH]c12
InChIInChI=1S/C14H15N3O2/c1-8-4-3-5-10-9(7-15-12(8)10)6-11-13(18)17(2)14(19)16-11/h3-5,7,11,15H,6H2,1-2H3,(H,16,19)/t11-/m1/s1
InChIKeyBVGLUUAWBVHTFR-LLVKDONJSA-N
XLogP1.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.57
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

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CID 132519
Macimorelin
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Pf-06840003
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CID 3143286
Brevianamide F
CID 181567
Tryprostatin B
CID 9863281
L-Tryptophanamide
CID 439356
N-Palmitoyltryptamine
CID 3726592
c[L-Phe-D-pro-L-Phe-L-trp]
CID 44583372
Pmx-205
CID 6918845
Pmx-53
CID 6918468

Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione (CID 71110493) is (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is Cc1cccc2c(C[C@H]3NC(=O)N(C)C3=O)c[nH]c12.
What is the InChIKey of (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is BVGLUUAWBVHTFR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-3-5-10-9(7-15-12(8)10)6-11-13(18)17(2)14(19)16-11/h3-5,7,11,15H,6H2,1-2H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione?
(5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 257.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-[(7-methyl-1H-indol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 71110493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).