1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane

C16H15BrF3N3O — CID 143549911

IUPAC1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane
SMILESCC.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF3N3O.C2H6/c1-22-9-3-4-11-10(6-9)20-13(14(16,17)18)21(11)12-5-2-8(15)7-19-12;1-2/h2-7H,1H3;1-2H3
InChIKeyYCGVVFKADYXMNT-UHFFFAOYSA-N
MW402.21 g/mol
LogP5.24
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane

1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane (PubChem CID 143549911) has the molecular formula C16H15BrF3N3O and a molecular weight of 402.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane
PubChem CID143549911
Molecular FormulaC16H15BrF3N3O
Molecular Weight402.21 g/mol
Exact Mass401.04
IUPAC Name1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane
SMILESCC.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(Br)cn1
InChIInChI=1S/C14H9BrF3N3O.C2H6/c1-22-9-3-4-11-10(6-9)20-13(14(16,17)18)21(11)12-5-2-8(15)7-19-12;1-2/h2-7H,1H3;1-2H3
InChIKeyYCGVVFKADYXMNT-UHFFFAOYSA-N
XLogP5.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.21
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993862
2,4,5-trifluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993848
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 24752780
[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl] formate
CID 123463550
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2,5-dimethylbenzamide
CID 58993859
5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;2-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]butanamide
CID 87838177
5-chloro-2-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
CID 58993860
5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazine-2-carboxamide
CID 69439927
3-methoxy-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-4-nitrosobenzamide
CID 88571608
N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-3-methylsulfanylbenzamide
CID 58993841
N-[(4-chloro-2-fluorophenyl)methyl]-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-N-[(2,3,6-trifluorophenyl)methyl]pyrazin-2-amine
CID 159009226
N-(cyclohexylmethyl)-5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;5-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-amine
CID 171929748

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane (CID 143549911) is 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane is CC.COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane?
The InChIKey is YCGVVFKADYXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3N3O.C2H6/c1-22-9-3-4-11-10(6-9)20-13(14(16,17)18)21(11)12-5-2-8(15)7-19-12;1-2/h2-7H,1H3;1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane?
1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane has a molecular weight of 402.21 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-5-methoxy-2-(trifluoromethyl)benzimidazole;ethane is sourced from PubChem (CID 143549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).