4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol

C22H18N4O — CID 141056042

IUPAC4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(-n2nc(-c3nc4ccccc4[nH]3)c3ccccc32)c1C
InChIInChI=1S/C22H18N4O/c1-13-14(2)20(27)12-11-18(13)26-19-10-6-3-7-15(19)21(25-26)22-23-16-8-4-5-9-17(16)24-22/h3-12,27H,1-2H3,(H,23,24)
InChIKeyOWYXDNSQOSTGOJ-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.89
Rot. Bonds2

About 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol

4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol (PubChem CID 141056042) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol
PubChem CID141056042
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol
SMILESCc1c(O)ccc(-n2nc(-c3nc4ccccc4[nH]3)c3ccccc32)c1C
InChIInChI=1S/C22H18N4O/c1-13-14(2)20(27)12-11-18(13)26-19-10-6-3-7-15(19)21(25-26)22-23-16-8-4-5-9-17(16)24-22/h3-12,27H,1-2H3,(H,23,24)
InChIKeyOWYXDNSQOSTGOJ-UHFFFAOYSA-N
XLogP4.89
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindazol-3-yl)-3H-benzimidazol-5-ol
CID 136785862
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677
2-(1H-benzimidazol-2-yl)-4-propan-2-ylphenol
CID 147978461
2-[3-methyl-4-(1,2,4-triazol-4-yl)phenyl]-1H-benzimidazole
CID 50879825
4-(1H-benzimidazol-2-yl)pyrimidin-5-ol
CID 136748891
2-(5-methylthiophen-2-yl)-1H-benzimidazole
CID 870214
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-methylquinazolin-4-one
CID 71327930
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
3-(1H-benzimidazol-2-yl)-7-(1-methylnaphthalen-2-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 130209308
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
3-(1-methylbenzimidazol-2-yl)-1H-indol-2-ol
CID 135414367

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol (CID 141056042) is 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol is Cc1c(O)ccc(-n2nc(-c3nc4ccccc4[nH]3)c3ccccc32)c1C.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol?
The InChIKey is OWYXDNSQOSTGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-13-14(2)20(27)12-11-18(13)26-19-10-6-3-7-15(19)21(25-26)22-23-16-8-4-5-9-17(16)24-22/h3-12,27H,1-2H3,(H,23,24).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol?
4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol has a molecular weight of 354.41 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)indazol-1-yl]-2,3-dimethylphenol is sourced from PubChem (CID 141056042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).