5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one

C22H19Br2N5O2 — CID 67613505

IUPAC5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one
SMILESCn1c(CCc2cc(Br)ccc2OCc2ccccc2)c(Br)cc(-c2nn[nH]n2)c1=O
InChIInChI=1S/C22H19Br2N5O2/c1-29-19(18(24)12-17(22(29)30)21-25-27-28-26-21)9-7-15-11-16(23)8-10-20(15)31-13-14-5-3-2-4-6-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,25,26,27,28)
InChIKeyCJPWTUJOSOWDCL-UHFFFAOYSA-N
MW545.24 g/mol
LogP4.45
Rot. Bonds7

About 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one

5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one (PubChem CID 67613505) has the molecular formula C22H19Br2N5O2 and a molecular weight of 545.24 g/mol. Its IUPAC name is 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one
PubChem CID67613505
Molecular FormulaC22H19Br2N5O2
Molecular Weight545.24 g/mol
Exact Mass542.99
IUPAC Name5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one
SMILESCn1c(CCc2cc(Br)ccc2OCc2ccccc2)c(Br)cc(-c2nn[nH]n2)c1=O
InChIInChI=1S/C22H19Br2N5O2/c1-29-19(18(24)12-17(22(29)30)21-25-27-28-26-21)9-7-15-11-16(23)8-10-20(15)31-13-14-5-3-2-4-6-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,25,26,27,28)
InChIKeyCJPWTUJOSOWDCL-UHFFFAOYSA-N
XLogP4.45
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
6-bromo-4-phenylmethoxy-2-(2H-tetrazol-5-yl)pyridin-3-ol
CID 137215900
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
tert-butyl 4-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxylate
CID 23209941
2-(5-bromo-2-phenylmethoxyphenyl)acetonitrile
CID 22675467
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 140977223
4-bromo-2-(chloromethyl)-1-(phenylmethoxymethoxy)benzene
CID 102939906
N-[(5-bromo-2-phenylmethoxyphenyl)methyl]-2-phenylethanamine
CID 4715742
(5-bromo-2-phenylmethoxyphenyl)methylcarbamic acid
CID 68634173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one?
The IUPAC name of 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one (CID 67613505) is 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one.
What is the SMILES notation for 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one?
The canonical SMILES for 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one is Cn1c(CCc2cc(Br)ccc2OCc2ccccc2)c(Br)cc(-c2nn[nH]n2)c1=O.
What is the InChIKey of 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one?
The InChIKey is CJPWTUJOSOWDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Br2N5O2/c1-29-19(18(24)12-17(22(29)30)21-25-27-28-26-21)9-7-15-11-16(23)8-10-20(15)31-13-14-5-3-2-4-6-14/h2-6,8,10-12H,7,9,13H2,1H3,(H,25,26,27,28).
What are the key properties of 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one?
5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one has a molecular weight of 545.24 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl]-1-methyl-3-(2H-tetrazol-5-yl)pyridin-2-one is sourced from PubChem (CID 67613505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).