4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole

C31H34N6 — CID 161236022

IUPAC4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole
SMILESCc1cc2c(c(CC(Cc3cc(C)c(C)c4c3=NCN=4)Cc3cc(C)c(C)c4c3=NCN=4)c1C)=NCN=2
InChIInChI=1S/C31H34N6/c1-16-7-23(29-27(20(16)5)33-14-35-29)10-22(11-24-8-17(2)21(6)28-30(24)36-15-34-28)12-25-19(4)18(3)9-26-31(25)37-13-32-26/h7-9,22H,10-15H2,1-6H3
InChIKeyRSMXLFHGABNWIW-UHFFFAOYSA-N
MW490.66 g/mol
LogP1.81
Rot. Bonds6

About 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole

4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole (PubChem CID 161236022) has the molecular formula C31H34N6 and a molecular weight of 490.66 g/mol. Its IUPAC name is 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole
PubChem CID161236022
Molecular FormulaC31H34N6
Molecular Weight490.66 g/mol
Exact Mass490.28
IUPAC Name4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole
SMILESCc1cc2c(c(CC(Cc3cc(C)c(C)c4c3=NCN=4)Cc3cc(C)c(C)c4c3=NCN=4)c1C)=NCN=2
InChIInChI=1S/C31H34N6/c1-16-7-23(29-27(20(16)5)33-14-35-29)10-22(11-24-8-17(2)21(6)28-30(24)36-15-34-28)12-25-19(4)18(3)9-26-31(25)37-13-32-26/h7-9,22H,10-15H2,1-6H3
InChIKeyRSMXLFHGABNWIW-UHFFFAOYSA-N
XLogP1.81
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole with MolForge

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Related Compounds

4-methyl-7-[4-[4-(7-methyl-2H-benzimidazol-4-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-2H-benzimidazole
CID 58019390
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
5,10-Di(propan-2-yl)-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 121465799
(6S)-N-methyl-3-(3-methylcyclopenta-1,3-dien-1-yl)-6-[(2E,4Z)-4-methylhexa-2,4-dien-2-yl]-2-methylidenecyclohex-3-en-1-imine
CID 134204551
4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 147644607
4-[3-(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)-2-[(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 149451815
3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane
CID 158241771
4-[2-[(5,6-dimethyl-2H-benzimidazol-4-yl)methyl]-3-(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)propyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;pentakis(yttrium)
CID 161236021
4-[2,3-bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)propyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 162069232
4-[3-(6,7-Dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)-2-[(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]propyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;hexakis(yttrium)
CID 167689906
4-[Bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;hexakis(yttrium)
CID 167696039
2-[1-(2H-benzimidazol-2-yl)heptadecyl]-2H-benzimidazole
CID 4557289

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole?
The IUPAC name of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole (CID 161236022) is 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole.
What is the SMILES notation for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole?
The canonical SMILES for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole is Cc1cc2c(c(CC(Cc3cc(C)c(C)c4c3=NCN=4)Cc3cc(C)c(C)c4c3=NCN=4)c1C)=NCN=2.
What is the InChIKey of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole?
The InChIKey is RSMXLFHGABNWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6/c1-16-7-23(29-27(20(16)5)33-14-35-29)10-22(11-24-8-17(2)21(6)28-30(24)36-15-34-28)12-25-19(4)18(3)9-26-31(25)37-13-32-26/h7-9,22H,10-15H2,1-6H3.
What are the key properties of 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole?
4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole has a molecular weight of 490.66 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6-dimethyl-2H-benzimidazole is sourced from PubChem (CID 161236022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).