3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole

C21H16N4O — CID 135482213

IUPAC3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1
InChIInChI=1S/C21H16N4O/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyVWMMBEIMPAJTGJ-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.78
Rot. Bonds3

About 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole

3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole (PubChem CID 135482213) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole
PubChem CID135482213
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole
SMILESCOc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1
InChIInChI=1S/C21H16N4O/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyVWMMBEIMPAJTGJ-UHFFFAOYSA-N
XLogP4.78
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole (CID 135482213) is 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole is COc1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole?
The InChIKey is VWMMBEIMPAJTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-15-9-6-13(7-10-15)14-8-11-17-16(12-14)20(25-24-17)21-22-18-4-2-3-5-19(18)23-21/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole?
3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole has a molecular weight of 340.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(4-methoxyphenyl)-1H-indazole is sourced from PubChem (CID 135482213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).