6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole

C21H16ClN3 — CID 56970734

IUPAC6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1cc2nc3n(-c4ccc(Cl)cc4)c4ccccc4n3c2cc1C
InChIInChI=1S/C21H16ClN3/c1-13-11-17-20(12-14(13)2)25-19-6-4-3-5-18(19)24(21(25)23-17)16-9-7-15(22)8-10-16/h3-12H,1-2H3
InChIKeyFVSHVFWISUAHOM-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.70
Rot. Bonds1

About 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole

6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 56970734) has the molecular formula C21H16ClN3 and a molecular weight of 345.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole
PubChem CID56970734
Molecular FormulaC21H16ClN3
Molecular Weight345.83 g/mol
Exact Mass345.10
IUPAC Name6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole
SMILESCc1cc2nc3n(-c4ccc(Cl)cc4)c4ccccc4n3c2cc1C
InChIInChI=1S/C21H16ClN3/c1-13-11-17-20(12-14(13)2)25-19-6-4-3-5-18(19)24(21(25)23-17)16-9-7-15(22)8-10-16/h3-12H,1-2H3
InChIKeyFVSHVFWISUAHOM-UHFFFAOYSA-N
XLogP5.70
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 123894505
5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 146255606
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
2-(2-fluoro-6-phenylbenzimidazolo[1,2-a]benzimidazol-3-yl)aniline
CID 129200395
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
5,8,9-trimethylbenzimidazolo[2,1-b]quinazolin-12-one
CID 102452373
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole (CID 56970734) is 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole is Cc1cc2nc3n(-c4ccc(Cl)cc4)c4ccccc4n3c2cc1C.
What is the InChIKey of 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is FVSHVFWISUAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3/c1-13-11-17-20(12-14(13)2)25-19-6-4-3-5-18(19)24(21(25)23-17)16-9-7-15(22)8-10-16/h3-12H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole?
6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 345.83 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 56970734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).