2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole

C26H30N6 — CID 71171325

IUPAC2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc(C2Nc3ccc(C4Nc5ccc(N6CCN(C)CC6)cc5N4)cc3N2)cc1
InChIInChI=1S/C26H30N6/c1-17-3-5-18(6-4-17)25-27-21-9-7-19(15-23(21)29-25)26-28-22-10-8-20(16-24(22)30-26)32-13-11-31(2)12-14-32/h3-10,15-16,25-30H,11-14H2,1-2H3
InChIKeyMWIOAQBOBFIJLY-UHFFFAOYSA-N
MW426.57 g/mol
LogP4.82
Rot. Bonds3

About 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole

2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole (PubChem CID 71171325) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole
PubChem CID71171325
Molecular FormulaC26H30N6
Molecular Weight426.57 g/mol
Exact Mass426.25
IUPAC Name2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc(C2Nc3ccc(C4Nc5ccc(N6CCN(C)CC6)cc5N4)cc3N2)cc1
InChIInChI=1S/C26H30N6/c1-17-3-5-18(6-4-17)25-27-21-9-7-19(15-23(21)29-25)26-28-22-10-8-20(16-24(22)30-26)32-13-11-31(2)12-14-32/h3-10,15-16,25-30H,11-14H2,1-2H3
InChIKeyMWIOAQBOBFIJLY-UHFFFAOYSA-N
XLogP4.82
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(4-methylphenyl)-1,4-diazocane
CID 143370715
1,4-dimethylpiperidine;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167698889
1,4-dimethylcyclohexane;1-methyl-4-(4-methylphenyl)piperazine;1-methyl-4-(4-methylphenyl)piperidine
CID 167566334
2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215343
3-[4-[6-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]propan-1-amine
CID 169189483
6-methyl-2-(4-methylphenyl)-1,2,3,5,6,7-hexahydroimidazo[4,5-f]benzimidazole
CID 59861037
1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
CID 154689076
ethane;1-methyl-4-(4-methylphenyl)piperazine;1-(4-methylphenyl)piperidine
CID 143579449
ethane;1-[2-methyl-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-4-phenyl-1H-pyrrol-3-yl]ethanone
CID 154689075
1-(3,4-dimethylphenyl)-4-methylpiperazine
CID 21363783
1-(4-cyclohexylphenyl)-4-methylpiperazine
CID 142618423
4-[3-[6-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoic acid
CID 177246360

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole (CID 71171325) is 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole is Cc1ccc(C2Nc3ccc(C4Nc5ccc(N6CCN(C)CC6)cc5N4)cc3N2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole?
The InChIKey is MWIOAQBOBFIJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6/c1-17-3-5-18(6-4-17)25-27-21-9-7-19(15-23(21)29-25)26-28-22-10-8-20(16-24(22)30-26)32-13-11-31(2)12-14-32/h3-10,15-16,25-30H,11-14H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole?
2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole has a molecular weight of 426.57 g/mol, XLogP of 4.82, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[5-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-benzimidazol-2-yl]-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 71171325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).