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)

C32H34N6Y5-2 — CID 149451815

IUPAC4-[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)
SMILESCc1[c-]c(CC(Cc2[c-]c(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C32H34N6.5Y/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29;;;;;/h23H,10-15H2,1-7H3;;;;;/q-2;;;;;
InChIKeySUSBNQSYMZITAO-UHFFFAOYSA-N
MW947.20 g/mol
LogP1.71
Rot. Bonds6

About 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)

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) (PubChem CID 149451815) has the molecular formula C32H34N6Y5-2 and a molecular weight of 947.20 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name4-[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)
PubChem CID149451815
Molecular FormulaC32H34N6Y5-2
Molecular Weight947.20 g/mol
Exact Mass946.81
IUPAC Name4-[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)
SMILESCc1[c-]c(CC(Cc2[c-]c(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C32H34N6.5Y/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29;;;;;/h23H,10-15H2,1-7H3;;;;;/q-2;;;;;
InChIKeySUSBNQSYMZITAO-UHFFFAOYSA-N
XLogP1.71
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500947.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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) with MolForge

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Related Compounds

4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 147644607
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
4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
CID 147644608
4-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-5,6,7-trimethyl-2H-benzimidazole
CID 149451816
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
4-[2,3-bis(6,7-dimethyl-2H-benzimidazol-4-yl)propyl]-5,6,7-trimethyl-2H-benzimidazole
CID 162069233
7-[3-(6,7-dimethyl-2H-benzimidazol-4-yl)-2-[(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]propyl]-4,5-dimethyl-2H-benzimidazole
CID 167689907
7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole
CID 167696040

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is Cc1[c-]c(CC(Cc2[c-]c(C)c(C)c3c2=NCN=3)Cc2c(C)c(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 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)?
The InChIKey is SUSBNQSYMZITAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6.5Y/c1-16-8-24(30-27(18(16)3)33-13-36-30)10-23(11-25-9-17(2)19(4)28-31(25)37-14-34-28)12-26-21(6)20(5)22(7)29-32(26)38-15-35-29;;;;;/h23H,10-15H2,1-7H3;;;;;/q-2;;;;;.
What are the key properties of 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)?
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) has a molecular weight of 947.20 g/mol, XLogP of 1.71, 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-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) is sourced from PubChem (CID 149451815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).