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

MLi-2
CID 78319901
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
2-{(2E)-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
CID 9633907
(2R)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78319902
(2S)-2-methyl-4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78321156
4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
CID 78321839
4-[6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]morpholine
CID 78323982
3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227299
3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 135227324
2-(5-methoxy-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 135820360
2-(5-(2-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 136038471
2-(5-(4-methoxyphenoxy)-1H-indazol-3-yl)-5-(4-(piperidin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazole
CID 136038505

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).