(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione

C18H18BrN3O2S — CID 26032202

IUPAC(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C18H18BrN3O2S/c1-18(13-2-4-14(19)5-3-13)16(23)22(17(24)20-18)11-21-8-6-15-12(10-21)7-9-25-15/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyLWENRILSCZEQAK-GOSISDBHSA-N
MW420.33 g/mol
LogP3.29
Rot. Bonds3

About (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione

(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione (PubChem CID 26032202) has the molecular formula C18H18BrN3O2S and a molecular weight of 420.33 g/mol. Its IUPAC name is (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione
PubChem CID26032202
Molecular FormulaC18H18BrN3O2S
Molecular Weight420.33 g/mol
Exact Mass419.03
IUPAC Name(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O
InChIInChI=1S/C18H18BrN3O2S/c1-18(13-2-4-14(19)5-3-13)16(23)22(17(24)20-18)11-21-8-6-15-12(10-21)7-9-25-15/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,24)/t18-/m1/s1
InChIKeyLWENRILSCZEQAK-GOSISDBHSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.33
LogP ≤ 53.29
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-butyl-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 26032001
5-(4-tert-butylphenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylimidazolidine-2,4-dione
CID 51166924
3'-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)spiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,5'-imidazolidine]-2',4'-dione
CID 18142631
5-methyl-5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 82096824
6-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-1,3-benzoxazol-2-one
CID 36697872
(5S)-3-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2455635
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2,2,5,5-tetramethyloxolan-3-one
CID 79934271
5-methyl-3-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55428506
(5S)-5-methyl-3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30629728
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide
CID 47139831
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2-dimethylpropanoic acid
CID 62272475
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione (CID 26032202) is (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(Br)cc2)NC(=O)N(CN2CCc3sccc3C2)C1=O.
What is the InChIKey of (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is LWENRILSCZEQAK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18BrN3O2S/c1-18(13-2-4-14(19)5-3-13)16(23)22(17(24)20-18)11-21-8-6-15-12(10-21)7-9-25-15/h2-5,7,9H,6,8,10-11H2,1H3,(H,20,24)/t18-/m1/s1.
What are the key properties of (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione?
(5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 420.33 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-bromophenyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 26032202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).