3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole

C21H15Cl2N5O — CID 137133119

IUPAC3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H15Cl2N5O/c1-11(19-14(22)9-24-10-15(19)23)29-12-6-7-16-13(8-12)20(28-27-16)21-25-17-4-2-3-5-18(17)26-21/h2-11H,1H3,(H,25,26)(H,27,28)
InChIKeyAZEJCKFRNKNLKB-UHFFFAOYSA-N
MW424.29 g/mol
LogP5.95
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole

3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole (PubChem CID 137133119) has the molecular formula C21H15Cl2N5O and a molecular weight of 424.29 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
PubChem CID137133119
Molecular FormulaC21H15Cl2N5O
Molecular Weight424.29 g/mol
Exact Mass423.07
IUPAC Name3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H15Cl2N5O/c1-11(19-14(22)9-24-10-15(19)23)29-12-6-7-16-13(8-12)20(28-27-16)21-25-17-4-2-3-5-18(17)26-21/h2-11H,1H3,(H,25,26)(H,27,28)
InChIKeyAZEJCKFRNKNLKB-UHFFFAOYSA-N
XLogP5.95
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.29
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole (CID 137133119) is 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole is CC(Oc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
The InChIKey is AZEJCKFRNKNLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O/c1-11(19-14(22)9-24-10-15(19)23)29-12-6-7-16-13(8-12)20(28-27-16)21-25-17-4-2-3-5-18(17)26-21/h2-11H,1H3,(H,25,26)(H,27,28).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole?
3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole has a molecular weight of 424.29 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazole is sourced from PubChem (CID 137133119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).