1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole

C19H10Br2F3N3 — CID 69339032

IUPAC1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3c(Br)cccc3n2Br)cc1
InChIInChI=1S/C19H10Br2F3N3/c20-14-4-1-5-15-17(14)26-18(27(15)21)12-8-6-11(7-9-12)16-13(19(22,23)24)3-2-10-25-16/h1-10H
InChIKeyMGAWFGZAXRPCQO-UHFFFAOYSA-N
MW497.11 g/mol
LogP6.70
Rot. Bonds2

About 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole

1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole (PubChem CID 69339032) has the molecular formula C19H10Br2F3N3 and a molecular weight of 497.11 g/mol. Its IUPAC name is 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole
PubChem CID69339032
Molecular FormulaC19H10Br2F3N3
Molecular Weight497.11 g/mol
Exact Mass494.92
IUPAC Name1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole
SMILESFC(F)(F)c1cccnc1-c1ccc(-c2nc3c(Br)cccc3n2Br)cc1
InChIInChI=1S/C19H10Br2F3N3/c20-14-4-1-5-15-17(14)26-18(27(15)21)12-8-6-11(7-9-12)16-13(19(22,23)24)3-2-10-25-16/h1-10H
InChIKeyMGAWFGZAXRPCQO-UHFFFAOYSA-N
XLogP6.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.11
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole?
The IUPAC name of 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole (CID 69339032) is 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole.
What is the SMILES notation for 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole?
The canonical SMILES for 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole is FC(F)(F)c1cccnc1-c1ccc(-c2nc3c(Br)cccc3n2Br)cc1.
What is the InChIKey of 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole?
The InChIKey is MGAWFGZAXRPCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Br2F3N3/c20-14-4-1-5-15-17(14)26-18(27(15)21)12-8-6-11(7-9-12)16-13(19(22,23)24)3-2-10-25-16/h1-10H.
What are the key properties of 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole?
1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole has a molecular weight of 497.11 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-2-[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]benzimidazole is sourced from PubChem (CID 69339032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).