4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde

C21H14N4O — CID 142236684

IUPAC4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C21H14N4O/c26-12-13-5-7-14(8-6-13)15-9-10-18-19(11-15)23-21(22-18)20-16-3-1-2-4-17(16)24-25-20/h1-12H,(H,22,23)(H,24,25)
InChIKeyRQBJMFXMJJLEJF-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.59
Rot. Bonds3

About 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde

4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde (PubChem CID 142236684) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
PubChem CID142236684
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C21H14N4O/c26-12-13-5-7-14(8-6-13)15-9-10-18-19(11-15)23-21(22-18)20-16-3-1-2-4-17(16)24-25-20/h1-12H,(H,22,23)(H,24,25)
InChIKeyRQBJMFXMJJLEJF-UHFFFAOYSA-N
XLogP4.59
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
CID 135804563
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
2-pyridin-2-yl-3H-benzimidazole-5-carbaldehyde
CID 84756492
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
3-phenyl-1H-indazole-6-carbaldehyde
CID 105479032
2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820141
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
2-(1H-indazol-3-yl)spiro[1,5-dihydropyrrolo[2,3-f]benzimidazole-7,1'-cyclopentane]-6-one
CID 135502960
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
4-[[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 135820311

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde?
The IUPAC name of 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde (CID 142236684) is 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde.
What is the SMILES notation for 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde?
The canonical SMILES for 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde is O=Cc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1.
What is the InChIKey of 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde?
The InChIKey is RQBJMFXMJJLEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c26-12-13-5-7-14(8-6-13)15-9-10-18-19(11-15)23-21(22-18)20-16-3-1-2-4-17(16)24-25-20/h1-12H,(H,22,23)(H,24,25).
What are the key properties of 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde?
4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde has a molecular weight of 338.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde is sourced from PubChem (CID 142236684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).