2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole

C22H18N4O2 — CID 58624862

IUPAC2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole
SMILESCOc1ccc(Oc2ccc3[nH]nc(-c4nc5ccccc5n4C)c3c2)cc1
InChIInChI=1S/C22H18N4O2/c1-26-20-6-4-3-5-19(20)23-22(26)21-17-13-16(11-12-18(17)24-25-21)28-15-9-7-14(27-2)8-10-15/h3-13H,1-2H3,(H,24,25)
InChIKeyYNMIIYYGAIUNSE-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.92
Rot. Bonds4

About 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole

2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole (PubChem CID 58624862) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole
PubChem CID58624862
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole
SMILESCOc1ccc(Oc2ccc3[nH]nc(-c4nc5ccccc5n4C)c3c2)cc1
InChIInChI=1S/C22H18N4O2/c1-26-20-6-4-3-5-19(20)23-22(26)21-17-13-16(11-12-18(17)24-25-21)28-15-9-7-14(27-2)8-10-15/h3-13H,1-2H3,(H,24,25)
InChIKeyYNMIIYYGAIUNSE-UHFFFAOYSA-N
XLogP4.92
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-methoxy-5-methylindolo[2,3-b]quinoxaline
CID 3983680
1-methyl-2-[6-(trifluoromethyl)-1H-indazol-3-yl]benzimidazole
CID 58624632
1-(5-methoxy-1H-indazol-3-yl)benzotriazole
CID 45104175
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2-(2-chloro-5-methoxypyrimidin-4-yl)-1-methylbenzimidazole
CID 175715308
2-[4-[2-(2,4-dimethoxyphenyl)ethynyl]-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 101410491
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
2-[4-dodecoxy-6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]-1-methylbenzimidazole
CID 71295623
1-(benzimidazol-1-yl)-7-methoxyisoquinoline
CID 106543716
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole?
The IUPAC name of 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole (CID 58624862) is 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole?
The canonical SMILES for 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole is COc1ccc(Oc2ccc3[nH]nc(-c4nc5ccccc5n4C)c3c2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole?
The InChIKey is YNMIIYYGAIUNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-26-20-6-4-3-5-19(20)23-22(26)21-17-13-16(11-12-18(17)24-25-21)28-15-9-7-14(27-2)8-10-15/h3-13H,1-2H3,(H,24,25).
What are the key properties of 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole?
2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole has a molecular weight of 370.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenoxy)-1H-indazol-3-yl]-1-methylbenzimidazole is sourced from PubChem (CID 58624862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).