2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole

C17H15BrN2OS — CID 121484920

IUPAC2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole
SMILESCOc1ccc(CSc2cc(Br)ccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C17H15BrN2OS/c1-21-14-5-2-12(3-6-14)11-22-16-10-13(18)4-7-15(16)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyJVERJQYUURQWIW-UHFFFAOYSA-N
MW375.29 g/mol
LogP5.14
Rot. Bonds5

About 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole

2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole (PubChem CID 121484920) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole
PubChem CID121484920
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole
SMILESCOc1ccc(CSc2cc(Br)ccc2-c2ncc[nH]2)cc1
InChIInChI=1S/C17H15BrN2OS/c1-21-14-5-2-12(3-6-14)11-22-16-10-13(18)4-7-15(16)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyJVERJQYUURQWIW-UHFFFAOYSA-N
XLogP5.14
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.29
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 130378500
4-bromo-2-(1H-imidazol-2-yl)phenol
CID 135471340
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
2-[5-bromo-2-(trifluoromethyl)phenyl]-1H-imidazole
CID 172992579
3-hydroxy-1-(1H-imidazol-2-yl)-4-[(4-methoxyphenyl)methylsulfanyl]butan-1-one
CID 139804313
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
2-[4-(1H-imidazol-2-ylsulfanylmethyl)phenyl]ethyl-trimethoxysilane
CID 58868338
5-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidine-2,4-dione
CID 21077558
2-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-5-methoxyaniline
CID 137011816
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole (CID 121484920) is 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole is COc1ccc(CSc2cc(Br)ccc2-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole?
The InChIKey is JVERJQYUURQWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2OS/c1-21-14-5-2-12(3-6-14)11-22-16-10-13(18)4-7-15(16)17-19-8-9-20-17/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole?
2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole has a molecular weight of 375.29 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]-1H-imidazole is sourced from PubChem (CID 121484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).