6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

C22H18N4 — CID 20689909

IUPAC6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C22H18N4/c1-13-3-9-17-19(11-13)25-21(23-17)15-5-7-16(8-6-15)22-24-18-10-4-14(2)12-20(18)26-22/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyGECUVJMEEJHNLF-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.39
Rot. Bonds2

About 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole (PubChem CID 20689909) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
PubChem CID20689909
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)[nH]c2c1
InChIInChI=1S/C22H18N4/c1-13-3-9-17-19(11-13)25-21(23-17)15-5-7-16(8-6-15)22-24-18-10-4-14(2)12-20(18)26-22/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyGECUVJMEEJHNLF-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

methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
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
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole (CID 20689909) is 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole is Cc1ccc2nc(-c3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
The InChIKey is GECUVJMEEJHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-13-3-9-17-19(11-13)25-21(23-17)15-5-7-16(8-6-15)22-24-18-10-4-14(2)12-20(18)26-22/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole?
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-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 6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 20689909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).