6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole

C23H19N3 — CID 18683779

IUPAC6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
SMILESCc1cccc(-c2nc3ccc(-c4ccc5cc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C23H19N3/c1-14-4-3-5-19(10-14)23-25-20-9-8-17(13-22(20)26-23)16-6-7-18-11-15(2)24-21(18)12-16/h3-13,24H,1-2H3,(H,25,26)
InChIKeyLCRSRYJVWJVCGH-UHFFFAOYSA-N
MW337.43 g/mol
LogP6.00
Rot. Bonds2

About 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole

6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole (PubChem CID 18683779) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
PubChem CID18683779
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
SMILESCc1cccc(-c2nc3ccc(-c4ccc5cc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/C23H19N3/c1-14-4-3-5-19(10-14)23-25-20-9-8-17(13-22(20)26-23)16-6-7-18-11-15(2)24-21(18)12-16/h3-13,24H,1-2H3,(H,25,26)
InChIKeyLCRSRYJVWJVCGH-UHFFFAOYSA-N
XLogP6.00
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
6-methyl-2-(3-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713005
2-(1H-indol-6-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
CID 10048048
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
CID 168514664
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
1-[2-[3-ethyl-5-(3-methylphenyl)phenyl]-3H-benzimidazol-5-yl]ethenamine
CID 144603581

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole?
The IUPAC name of 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole (CID 18683779) is 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole is Cc1cccc(-c2nc3ccc(-c4ccc5cc(C)[nH]c5c4)cc3[nH]2)c1.
What is the InChIKey of 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole?
The InChIKey is LCRSRYJVWJVCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3/c1-14-4-3-5-19(10-14)23-25-20-9-8-17(13-22(20)26-23)16-6-7-18-11-15(2)24-21(18)12-16/h3-13,24H,1-2H3,(H,25,26).
What are the key properties of 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole?
6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole has a molecular weight of 337.43 g/mol, XLogP of 6.00, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole is sourced from PubChem (CID 18683779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).