2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole

C22H18N4 — CID 22475730

IUPAC2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)c(-c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C22H18N4/c1-13-11-12-15(21-23-16-7-3-4-8-17(16)24-21)20(14(13)2)22-25-18-9-5-6-10-19(18)26-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyOFHHLUMFBLTKQH-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.39
Rot. Bonds2

About 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole

2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole (PubChem CID 22475730) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
PubChem CID22475730
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccccc3[nH]2)c(-c2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C22H18N4/c1-13-11-12-15(21-23-16-7-3-4-8-17(16)24-21)20(14(13)2)22-25-18-9-5-6-10-19(18)26-22/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyOFHHLUMFBLTKQH-UHFFFAOYSA-N
XLogP5.39
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
5-(1H-benzimidazol-2-yl)-8-methylquinoline
CID 168554319
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
4-(1H-benzimidazol-2-yl)-N,N-diethyl-3-methylaniline
CID 168554266
3-(1H-benzimidazol-2-yl)-2-chloro-8-methylquinoline
CID 139075966
2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
CID 151102364
CID 20700346
CID 20700346
2-(1H-benzimidazol-2-yl)-4-iodo-6-methylphenol
CID 168554061
2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole (CID 22475730) is 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole is Cc1ccc(-c2nc3ccccc3[nH]2)c(-c2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole?
The InChIKey is OFHHLUMFBLTKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-13-11-12-15(21-23-16-7-3-4-8-17(16)24-21)20(14(13)2)22-25-18-9-5-6-10-19(18)26-22/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole?
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole has a molecular weight of 338.41 g/mol, XLogP of 5.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole is sourced from PubChem (CID 22475730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).