(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

C20H19BrN6O4 — CID 41196469

IUPAC(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1OC
InChIInChI=1S/C20H19BrN6O4/c1-20(13-5-4-6-14(8-13)27-11-22-24-25-27)18(28)26(19(29)23-20)10-12-7-16(30-2)17(31-3)9-15(12)21/h4-9,11H,10H2,1-3H3,(H,23,29)/t20-/m1/s1
InChIKeyLVKGPWYRXFPCBS-HXUWFJFHSA-N
MW487.31 g/mol
LogP2.41
Rot. Bonds6

About (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione

(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 41196469) has the molecular formula C20H19BrN6O4 and a molecular weight of 487.31 g/mol. Its IUPAC name is (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
PubChem CID41196469
Molecular FormulaC20H19BrN6O4
Molecular Weight487.31 g/mol
Exact Mass486.07
IUPAC Name(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
SMILESCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1OC
InChIInChI=1S/C20H19BrN6O4/c1-20(13-5-4-6-14(8-13)27-11-22-24-25-27)18(28)26(19(29)23-20)10-12-7-16(30-2)17(31-3)9-15(12)21/h4-9,11H,10H2,1-3H3,(H,23,29)/t20-/m1/s1
InChIKeyLVKGPWYRXFPCBS-HXUWFJFHSA-N
XLogP2.41
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40855979
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41132317
(5R)-5-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 40804493
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918844
3-[2-(4-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 42918836
(5S)-3-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41082147
(5R)-3-[2-(3-chlorophenoxy)ethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41111698
2-methyl-N-[4-[2-[4-methyl-2,5-dioxo-4-[3-(tetrazol-1-yl)phenyl]imidazolidin-1-yl]acetyl]phenyl]propanamide
CID 42920903
(5S)-3-[2-[1-[(2R)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41048098
(5S)-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 7131300
(5S)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320331
(5R)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione
CID 41320332

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione (CID 41196469) is (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is COc1cc(Br)c(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1OC.
What is the InChIKey of (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
The InChIKey is LVKGPWYRXFPCBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H19BrN6O4/c1-20(13-5-4-6-14(8-13)27-11-22-24-25-27)18(28)26(19(29)23-20)10-12-7-16(30-2)17(31-3)9-15(12)21/h4-9,11H,10H2,1-3H3,(H,23,29)/t20-/m1/s1.
What are the key properties of (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione?
(5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 487.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-methyl-5-[3-(tetrazol-1-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 41196469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).