[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol

C20H15BrClFN4O — CID 11442581

IUPAC[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21
InChIInChI=1S/C20H15BrClFN4O/c1-27-10-25-19-16(27)9-12(20(28)15-4-2-3-7-24-15)18(17(19)23)26-14-6-5-11(21)8-13(14)22/h2-10,20,26,28H,1H3
InChIKeyJIKDXMAHCGNIJE-UHFFFAOYSA-N
MW461.72 g/mol
LogP5.35
Rot. Bonds4

About [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol

[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol (PubChem CID 11442581) has the molecular formula C20H15BrClFN4O and a molecular weight of 461.72 g/mol. Its IUPAC name is [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
PubChem CID11442581
Molecular FormulaC20H15BrClFN4O
Molecular Weight461.72 g/mol
Exact Mass460.01
IUPAC Name[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
SMILESCn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21
InChIInChI=1S/C20H15BrClFN4O/c1-27-10-25-19-16(27)9-12(20(28)15-4-2-3-7-24-15)18(17(19)23)26-14-6-5-11(21)8-13(14)22/h2-10,20,26,28H,1H3
InChIKeyJIKDXMAHCGNIJE-UHFFFAOYSA-N
XLogP5.35
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.72
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The IUPAC name of [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol (CID 11442581) is [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol is Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(O)c3ccccn3)cc21.
What is the InChIKey of [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
The InChIKey is JIKDXMAHCGNIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClFN4O/c1-27-10-25-19-16(27)9-12(20(28)15-4-2-3-7-24-15)18(17(19)23)26-14-6-5-11(21)8-13(14)22/h2-10,20,26,28H,1H3.
What are the key properties of [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol?
[6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol has a molecular weight of 461.72 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-2-chloroanilino)-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 11442581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).