4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C16H15BrClN3O — CID 54091626

IUPAC4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2c(Cl)nc(Br)n2Cc2c(C)noc2C)cc1
InChIInChI=1S/C16H15BrClN3O/c1-9-4-6-12(7-5-9)14-15(18)19-16(17)21(14)8-13-10(2)20-22-11(13)3/h4-7H,8H2,1-3H3
InChIKeyMUGMXPQNXACEQW-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.93
Rot. Bonds3

About 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 54091626) has the molecular formula C16H15BrClN3O and a molecular weight of 380.67 g/mol. Its IUPAC name is 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID54091626
Molecular FormulaC16H15BrClN3O
Molecular Weight380.67 g/mol
Exact Mass379.01
IUPAC Name4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1ccc(-c2c(Cl)nc(Br)n2Cc2c(C)noc2C)cc1
InChIInChI=1S/C16H15BrClN3O/c1-9-4-6-12(7-5-9)14-15(18)19-16(17)21(14)8-13-10(2)20-22-11(13)3/h4-7H,8H2,1-3H3
InChIKeyMUGMXPQNXACEQW-UHFFFAOYSA-N
XLogP4.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 54091626) is 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1ccc(-c2c(Cl)nc(Br)n2Cc2c(C)noc2C)cc1.
What is the InChIKey of 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MUGMXPQNXACEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O/c1-9-4-6-12(7-5-9)14-15(18)19-16(17)21(14)8-13-10(2)20-22-11(13)3/h4-7H,8H2,1-3H3.
What are the key properties of 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 380.67 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-4-chloro-5-(4-methylphenyl)imidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 54091626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).