(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione

C17H13BrN2O3S — CID 94870299

IUPAC(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2csc(Br)c2)C1=O
InChIInChI=1S/C17H13BrN2O3S/c1-17(13-7-11-4-2-3-5-12(11)23-13)15(21)20(16(22)19-17)8-10-6-14(18)24-9-10/h2-7,9H,8H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKSLVECKWEMHMLM-QGZVFWFLSA-N
MW405.27 g/mol
LogP4.22
Rot. Bonds3

About (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione

(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 94870299) has the molecular formula C17H13BrN2O3S and a molecular weight of 405.27 g/mol. Its IUPAC name is (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID94870299
Molecular FormulaC17H13BrN2O3S
Molecular Weight405.27 g/mol
Exact Mass403.98
IUPAC Name(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2csc(Br)c2)C1=O
InChIInChI=1S/C17H13BrN2O3S/c1-17(13-7-11-4-2-3-5-12(11)23-13)15(21)20(16(22)19-17)8-10-6-14(18)24-9-10/h2-7,9H,8H2,1H3,(H,19,22)/t17-/m1/s1
InChIKeyKSLVECKWEMHMLM-QGZVFWFLSA-N
XLogP4.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromo-2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 95630729
5-(1-benzofuran-2-yl)-5-methyl-3-(1,2-oxazol-5-ylmethyl)imidazolidine-2,4-dione
CID 75479091
5-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 55442400
5-(1-benzofuran-2-yl)-5-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 17410607
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]imidazolidine-2,4-dione
CID 52533141
5-(1-benzofuran-2-yl)-5-methyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 55435865
(5R)-5-(1-benzofuran-2-yl)-5-methyl-3-[(E)-3-phenylprop-2-enyl]imidazolidine-2,4-dione
CID 40767489
(5S)-5-(1-benzofuran-2-yl)-3-(3,3-dimethyl-2-oxobutyl)-5-methylimidazolidine-2,4-dione
CID 40854425
(5S)-5-(1-benzofuran-2-yl)-5-methyl-3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 9292738
2-[4-(1-benzofuran-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 55445044
(5S)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735078
(5R)-3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
CID 30735083

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione (CID 94870299) is (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2csc(Br)c2)C1=O.
What is the InChIKey of (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is KSLVECKWEMHMLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H13BrN2O3S/c1-17(13-7-11-4-2-3-5-12(11)23-13)15(21)20(16(22)19-17)8-10-6-14(18)24-9-10/h2-7,9H,8H2,1H3,(H,19,22)/t17-/m1/s1.
What are the key properties of (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 405.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-benzofuran-2-yl)-3-[(5-bromothiophen-3-yl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 94870299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).