3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile

C18H11N7 — CID 135820118

IUPAC3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3nc4ccc(-n5ccnc5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C18H11N7/c19-9-11-1-3-13-15(7-11)23-24-17(13)18-21-14-4-2-12(8-16(14)22-18)25-6-5-20-10-25/h1-8,10H,(H,21,22)(H,23,24)
InChIKeyABWAWNYBKWWQJS-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.16
Rot. Bonds2

About 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile

3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile (PubChem CID 135820118) has the molecular formula C18H11N7 and a molecular weight of 325.34 g/mol. Its IUPAC name is 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile
PubChem CID135820118
Molecular FormulaC18H11N7
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3nc4ccc(-n5ccnc5)cc4[nH]3)n[nH]c2c1
InChIInChI=1S/C18H11N7/c19-9-11-1-3-13-15(7-11)23-24-17(13)18-21-14-4-2-12(8-16(14)22-18)25-6-5-20-10-25/h1-8,10H,(H,21,22)(H,23,24)
InChIKeyABWAWNYBKWWQJS-UHFFFAOYSA-N
XLogP3.16
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
CID 135820320
6-imidazol-1-yl-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 10108323
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]oxy]pyridine-3-carbonitrile
CID 135819884
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638
6-imidazol-1-yl-2-(2-methoxy-4-methylsulfanylphenyl)-1H-benzimidazole
CID 10449675
2-(6-fluoro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820256
2-(6-chloro-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820027
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161

Frequently Asked Questions

What is the IUPAC name of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile?
The IUPAC name of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile (CID 135820118) is 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile.
What is the SMILES notation for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile?
The canonical SMILES for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile is N#Cc1ccc2c(-c3nc4ccc(-n5ccnc5)cc4[nH]3)n[nH]c2c1.
What is the InChIKey of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile?
The InChIKey is ABWAWNYBKWWQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N7/c19-9-11-1-3-13-15(7-11)23-24-17(13)18-21-14-4-2-12(8-16(14)22-18)25-6-5-20-10-25/h1-8,10H,(H,21,22)(H,23,24).
What are the key properties of 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile?
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile has a molecular weight of 325.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1H-indazole-6-carbonitrile is sourced from PubChem (CID 135820118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).