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

C28H28N6 — CID 167696040

IUPAC7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole
SMILESCc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2cc(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C28H28N6/c1-13-7-19(26-23(16(13)4)29-10-32-26)22(20-8-14(2)17(5)24-27(20)33-11-30-24)21-9-15(3)18(6)25-28(21)34-12-31-25/h7-9,22H,10-12H2,1-6H3
InChIKeyNTOOEPIPHGFPMX-UHFFFAOYSA-N
MW448.57 g/mol
LogP1.35
Rot. Bonds3

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

7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole (PubChem CID 167696040) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole.

Molecular Properties

Compound Name7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole
PubChem CID167696040
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole
SMILESCc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2cc(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2
InChIInChI=1S/C28H28N6/c1-13-7-19(26-23(16(13)4)29-10-32-26)22(20-8-14(2)17(5)24-27(20)33-11-30-24)21-9-15(3)18(6)25-28(21)34-12-31-25/h7-9,22H,10-12H2,1-6H3
InChIKeyNTOOEPIPHGFPMX-UHFFFAOYSA-N
XLogP1.35
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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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-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 59380760
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
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
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
N-[1-(5,6,9,9a-tetrahydro-1H-fluoren-4-yl)ethylidene]-N'-methylethanimidamide
CID 145017010
4-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole
CID 147644608

Frequently Asked Questions

What is the IUPAC name of 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole?
The IUPAC name of 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole (CID 167696040) is 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole.
What is the SMILES notation for 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole?
The canonical SMILES for 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole is Cc1cc(C(c2cc(C)c(C)c3c2=NCN=3)c2cc(C)c(C)c3c2=NCN=3)c2c(c1C)=NCN=2.
What is the InChIKey of 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole?
The InChIKey is NTOOEPIPHGFPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-13-7-19(26-23(16(13)4)29-10-32-26)22(20-8-14(2)17(5)24-27(20)33-11-30-24)21-9-15(3)18(6)25-28(21)34-12-31-25/h7-9,22H,10-12H2,1-6H3.
What are the key properties of 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole?
7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole has a molecular weight of 448.57 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(6,7-dimethyl-2H-benzimidazol-4-yl)methyl]-4,5-dimethyl-2H-benzimidazole is sourced from PubChem (CID 167696040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).