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

C22H17Cl2N5O — CID 137133120

IUPAC2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O/c1-11-3-5-18-19(7-11)27-22(26-18)21-14-8-13(4-6-17(14)28-29-21)30-12(2)20-15(23)9-25-10-16(20)24/h3-10,12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyVOMLBRGMKFYAOF-UHFFFAOYSA-N
MW438.32 g/mol
LogP6.26
Rot. Bonds4

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

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 137133120) has the molecular formula C22H17Cl2N5O and a molecular weight of 438.32 g/mol. Its IUPAC name is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole
PubChem CID137133120
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1
InChIInChI=1S/C22H17Cl2N5O/c1-11-3-5-18-19(7-11)27-22(26-18)21-14-8-13(4-6-17(14)28-29-21)30-12(2)20-15(23)9-25-10-16(20)24/h3-10,12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyVOMLBRGMKFYAOF-UHFFFAOYSA-N
XLogP6.26
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.32
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-1H-benzimidazole
CID 137133132
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
5-[(1S)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-3-iodo-2H-indazole
CID 156577917
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-[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 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole (CID 137133120) is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)[nH]c2c1.
What is the InChIKey of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is VOMLBRGMKFYAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c1-11-3-5-18-19(7-11)27-22(26-18)21-14-8-13(4-6-17(14)28-29-21)30-12(2)20-15(23)9-25-10-16(20)24/h3-10,12H,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole?
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 438.32 g/mol, XLogP of 6.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 137133120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).