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

C21H16N4O — CID 141037146

IUPAC3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
SMILESCOc1ccccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H16N4O/c1-26-19-9-5-2-6-14(19)13-10-11-16-15(12-13)20(25-24-16)21-22-17-7-3-4-8-18(17)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyQQHJXANNQUKEMO-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.78
Rot. Bonds3

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

3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole (PubChem CID 141037146) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
PubChem CID141037146
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
SMILESCOc1ccccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
InChIInChI=1S/C21H16N4O/c1-26-19-9-5-2-6-14(19)13-10-11-16-15(12-13)20(25-24-16)21-22-17-7-3-4-8-18(17)23-21/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyQQHJXANNQUKEMO-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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Related Compounds

3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
3-(1H-benzimidazol-2-yl)-5-(2,3-dimethoxyphenyl)-1-methylindazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-2-methoxyphenol;3-(1H-benzimidazol-2-yl)-5-iodo-1-methylindazole;(2,3-dimethoxyphenyl)boronic acid
CID 159109292
3-(1H-benzimidazol-2-yl)-5-(2-iodo-3-methoxyphenyl)-1-methylindazole
CID 135686900
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
N-[[3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-5-ethyl-2-methylphenyl]methyl]ethanamine
CID 137153838
3-[3-(1H-benzimidazol-2-yl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 11451717
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine
CID 135453498
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
2-[3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-1H-benzimidazole
CID 2343559

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole (CID 141037146) is 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole is COc1ccccc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole?
The InChIKey is QQHJXANNQUKEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-26-19-9-5-2-6-14(19)13-10-11-16-15(12-13)20(25-24-16)21-22-17-7-3-4-8-18(17)23-21/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole?
3-(1H-benzimidazol-2-yl)-5-(2-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-(2-methoxyphenyl)-1H-indazole is sourced from PubChem (CID 141037146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).