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

C22H17Cl2N5O — CID 137133125

IUPAC2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)nc12
InChIInChI=1S/C22H17Cl2N5O/c1-11-4-3-5-18-20(11)27-22(26-18)21-14-8-13(6-7-17(14)28-29-21)30-12(2)19-15(23)9-25-10-16(19)24/h3-10,12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyLTFQTECLBSQBGK-UHFFFAOYSA-N
MW438.32 g/mol
LogP6.26
Rot. Bonds4

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

2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole (PubChem CID 137133125) 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]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole
PubChem CID137133125
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.32 g/mol
Exact Mass437.08
IUPAC Name2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)nc12
InChIInChI=1S/C22H17Cl2N5O/c1-11-4-3-5-18-20(11)27-22(26-18)21-14-8-13(6-7-17(14)28-29-21)30-12(2)19-15(23)9-25-10-16(19)24/h3-10,12H,1-2H3,(H,26,27)(H,28,29)
InChIKeyLTFQTECLBSQBGK-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

6-chloro-N-[(E)-1H-imidazol-2-ylmethylideneamino]-2-methoxyacridin-9-amine
CID 135401991
2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 136211077
N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 137133106
N-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]-2-(dimethylamino)-N-methylacetamide
CID 137133111
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 137133115
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133116
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-6-(1-methylpiperidin-4-yl)-1H-benzimidazole
CID 137133138
4-[2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-3H-benzimidazol-5-yl]morpholine
CID 137133139
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-N-(2-methoxyethyl)-3H-benzimidazol-5-amine
CID 137133152
6-(1H-indazol-6-yl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473273
3-(2-(4-(4H-1,2,4-triazol-4-yl)piperidin-1-yl)pyridin-4-yl)-5-isopropoxy-1H-indazole
CID 90400705
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole (CID 137133125) is 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole is Cc1cccc2[nH]c(-c3n[nH]c4ccc(OC(C)c5c(Cl)cncc5Cl)cc34)nc12.
What is the InChIKey of 2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-methyl-1H-benzimidazole?
The InChIKey is LTFQTECLBSQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N5O/c1-11-4-3-5-18-20(11)27-22(26-18)21-14-8-13(6-7-17(14)28-29-21)30-12(2)19-15(23)9-25-10-16(19)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]-4-methyl-1H-benzimidazole?
2-[5-[1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]-4-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]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 137133125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).