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)

C92H84N16 — CID 158043672

IUPACethane;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)
SMILESCC.CC.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/4C22H18N4.2C2H6/c2*1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;2*1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;2*1-2/h4*3-12H,1-2H3,(H,23,24)(H,25,26);2*1-2H3
InChIKeyFIQRKDMOOFTMCB-UHFFFAOYSA-N
MW1413.80 g/mol
LogP23.61
Rot. Bonds8

About 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)

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) (PubChem CID 158043672) has the molecular formula C92H84N16 and a molecular weight of 1413.80 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Nameethane;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)
PubChem CID158043672
Molecular FormulaC92H84N16
Molecular Weight1413.80 g/mol
Exact Mass1412.71
IUPAC Nameethane;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)
SMILESCC.CC.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
InChIInChI=1S/4C22H18N4.2C2H6/c2*1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;2*1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;2*1-2/h4*3-12H,1-2H3,(H,23,24)(H,25,26);2*1-2H3
InChIKeyFIQRKDMOOFTMCB-UHFFFAOYSA-N
XLogP23.61
TPSA229.44 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.80
LogP ≤ 523.61
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Related Compounds

6-(2-methyl-1H-indol-6-yl)-2-(3-methylphenyl)-1H-benzimidazole
CID 18683779
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 159105589
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
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-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
4-[4-[3-methyl-5-[5-(2-methyl-1H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]benzoyl]phenoxy]benzenesulfonic acid;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 136503857

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CC.CC.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.
What is the InChIKey of 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)?
The InChIKey is FIQRKDMOOFTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H18N4.2C2H6/c2*1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;2*1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;2*1-2/h4*3-12H,1-2H3,(H,23,24)(H,25,26);2*1-2H3.
What are the key properties of 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)?
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) has a molecular weight of 1413.80 g/mol, XLogP of 23.61, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).