5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine

C17H12Br2F3N3O — CID 126752392

IUPAC5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccccc1Cn1c(-c2ccc(C(F)(F)F)nc2)nc(Br)c1Br
InChIInChI=1S/C17H12Br2F3N3O/c1-26-12-5-3-2-4-11(12)9-25-15(19)14(18)24-16(25)10-6-7-13(23-8-10)17(20,21)22/h2-8H,9H2,1H3
InChIKeyCMNJJUDCRVHODH-UHFFFAOYSA-N
MW491.11 g/mol
LogP5.55
Rot. Bonds4

About 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine

5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 126752392) has the molecular formula C17H12Br2F3N3O and a molecular weight of 491.11 g/mol. Its IUPAC name is 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
PubChem CID126752392
Molecular FormulaC17H12Br2F3N3O
Molecular Weight491.11 g/mol
Exact Mass488.93
IUPAC Name5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
SMILESCOc1ccccc1Cn1c(-c2ccc(C(F)(F)F)nc2)nc(Br)c1Br
InChIInChI=1S/C17H12Br2F3N3O/c1-26-12-5-3-2-4-11(12)9-25-15(19)14(18)24-16(25)10-6-7-13(23-8-10)17(20,21)22/h2-8H,9H2,1H3
InChIKeyCMNJJUDCRVHODH-UHFFFAOYSA-N
XLogP5.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.11
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-bromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine
CID 126752356
(3R)-3-amino-6-[2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
CID 129027021
1-[(2-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 146607964
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
2-[[(2-methoxyphenyl)methylamino]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 22030408
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009
5-bromo-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 43661491
3-iodo-1-[(2-methoxyphenyl)methyl]-1,2,4-triazole
CID 79785195
2-[6-(trifluoromethyl)-3-pyridinyl]phenol
CID 142726481

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine (CID 126752392) is 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine is COc1ccccc1Cn1c(-c2ccc(C(F)(F)F)nc2)nc(Br)c1Br.
What is the InChIKey of 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is CMNJJUDCRVHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2F3N3O/c1-26-12-5-3-2-4-11(12)9-25-15(19)14(18)24-16(25)10-6-7-13(23-8-10)17(20,21)22/h2-8H,9H2,1H3.
What are the key properties of 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine?
5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 491.11 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-dibromo-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 126752392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).