2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

C22H18N4 — CID 59482293

IUPAC2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1ccc(-c2nc3cc4nc(-c5ccc(C)cc5)[nH]c4cc3[nH]2)cc1
InChIInChI=1S/C22H18N4/c1-13-3-7-15(8-4-13)21-23-17-11-19-20(12-18(17)24-21)26-22(25-19)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZBRLAUWEFVDBNH-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.39
Rot. Bonds2

About 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 59482293) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID59482293
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCc1ccc(-c2nc3cc4nc(-c5ccc(C)cc5)[nH]c4cc3[nH]2)cc1
InChIInChI=1S/C22H18N4/c1-13-3-7-15(8-4-13)21-23-17-11-19-20(12-18(17)24-21)26-22(25-19)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyZBRLAUWEFVDBNH-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

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
CID 158043672
[2-(4-methylphenyl)-3H-benzimidazol-5-yl]thiourea
CID 169357931

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 59482293) is 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is Cc1ccc(-c2nc3cc4nc(-c5ccc(C)cc5)[nH]c4cc3[nH]2)cc1.
What is the InChIKey of 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is ZBRLAUWEFVDBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-13-3-7-15(8-4-13)21-23-17-11-19-20(12-18(17)24-21)26-22(25-19)16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]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 2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 59482293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).