5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole

C21H13Cl4N5O — CID 137133132

IUPAC5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H13Cl4N5O/c1-9(19-14(24)7-26-8-15(19)25)31-10-2-3-16-11(4-10)20(30-29-16)21-27-17-5-12(22)13(23)6-18(17)28-21/h2-9H,1H3,(H,27,28)(H,29,30)
InChIKeyZYABOHOZOVKKNC-UHFFFAOYSA-N
MW493.18 g/mol
LogP7.25
Rot. Bonds4

About 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole

5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole (PubChem CID 137133132) has the molecular formula C21H13Cl4N5O and a molecular weight of 493.18 g/mol. Its IUPAC name is 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
PubChem CID137133132
Molecular FormulaC21H13Cl4N5O
Molecular Weight493.18 g/mol
Exact Mass490.99
IUPAC Name5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
SMILESCC(Oc1ccc2[nH]nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl
InChIInChI=1S/C21H13Cl4N5O/c1-9(19-14(24)7-26-8-15(19)25)31-10-2-3-16-11(4-10)20(30-29-16)21-27-17-5-12(22)13(23)6-18(17)28-21/h2-9H,1H3,(H,27,28)(H,29,30)
InChIKeyZYABOHOZOVKKNC-UHFFFAOYSA-N
XLogP7.25
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.18
LogP ≤ 57.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole
CID 137133120
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(5-propan-2-ylsulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl)-1H-indazole
CID 163364437
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-[1-(1-methylpiperidin-4-yl)ethyl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl]-1H-indazole
CID 163364426
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-[5-(1-methylpiperidin-4-yl)-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-2-yl]-1H-indazole
CID 163364466
3-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-3-hydroxypropanenitrile
CID 163364443
7-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 166462287
1-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone
CID 174192779
1-[2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl]-2-(3-fluoroazetidin-1-yl)ethanone
CID 163364434
5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
CID 156577917
[5-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 156565634
5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-(2-piperazin-1-ylpyrimidin-5-yl)-1H-indazole
CID 170647467
5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-N-hydroxy-1H-indazole-3-carboxamide
CID 156577995

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole (CID 137133132) is 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole is CC(Oc1ccc2[nH]nc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl.
What is the InChIKey of 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole?
The InChIKey is ZYABOHOZOVKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl4N5O/c1-9(19-14(24)7-26-8-15(19)25)31-10-2-3-16-11(4-10)20(30-29-16)21-27-17-5-12(22)13(23)6-18(17)28-21/h2-9H,1H3,(H,27,28)(H,29,30).
What are the key properties of 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole?
5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole has a molecular weight of 493.18 g/mol, XLogP of 7.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole is sourced from PubChem (CID 137133132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).