2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole

C21H16N4 — CID 135804563

IUPAC2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C21H16N4/c1-13-6-8-14(9-7-13)15-10-11-18-19(12-15)23-21(22-18)20-16-4-2-3-5-17(16)24-25-20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyDWCRCSPVRXZHSQ-UHFFFAOYSA-N
MW324.39 g/mol
LogP5.08
Rot. Bonds2

About 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole

2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole (PubChem CID 135804563) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
PubChem CID135804563
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole
SMILESCc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1
InChIInChI=1S/C21H16N4/c1-13-6-8-14(9-7-13)15-10-11-18-19(12-15)23-21(22-18)20-16-4-2-3-5-17(16)24-25-20/h2-12H,1H3,(H,22,23)(H,24,25)
InChIKeyDWCRCSPVRXZHSQ-UHFFFAOYSA-N
XLogP5.08
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.39
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]benzaldehyde
CID 142236684
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355
2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820141
3-(1H-benzimidazol-2-yl)-5-(3-methoxy-2-methylphenyl)-1H-indazole
CID 135486180
3-(1H-benzimidazol-2-yl)-5-(2-methoxyphenyl)-1H-indazole
CID 141037146
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
CID 54590193
2-(1H-indazol-3-yl)-4-(4-methylphenyl)-1,3-thiazole
CID 22259263
4-[[2-(1H-indazol-3-yl)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 135820311
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole (CID 135804563) is 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole is Cc1ccc(-c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)cc1.
What is the InChIKey of 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole?
The InChIKey is DWCRCSPVRXZHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-13-6-8-14(9-7-13)15-10-11-18-19(12-15)23-21(22-18)20-16-4-2-3-5-17(16)24-25-20/h2-12H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole?
2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole has a molecular weight of 324.39 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-6-(4-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 135804563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).