4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

C27H30N6 — CID 160696835

IUPAC4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESCc1c(C)c(C)c2c(c1C)=NCN=2.Cc1c(C)c2c3c(c(C)c(C)c2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C16H16N4.C11H14N2/c1-7-9(3)13-16(20-5-17-13)12-8(2)10(4)14-15(11(7)12)19-6-18-14;1-6-7(2)9(4)11-10(8(6)3)12-5-13-11/h5-6H2,1-4H3;5H2,1-4H3
InChIKeyRQCKBHFZGXWJOW-UHFFFAOYSA-N
MW438.58 g/mol
LogP1.62
Rot. Bonds

About 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (PubChem CID 160696835) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
PubChem CID160696835
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC Name4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESCc1c(C)c(C)c2c(c1C)=NCN=2.Cc1c(C)c2c3c(c(C)c(C)c2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C16H16N4.C11H14N2/c1-7-9(3)13-16(20-5-17-13)12-8(2)10(4)14-15(11(7)12)19-6-18-14;1-6-7(2)9(4)11-10(8(6)3)12-5-13-11/h5-6H2,1-4H3;5H2,1-4H3
InChIKeyRQCKBHFZGXWJOW-UHFFFAOYSA-N
XLogP1.62
TPSA74.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,9-Difluoro-2,2,5,7,7,10-hexamethylbenzimidazolo[5,4-e]benzimidazole
CID 117673259
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
5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58281838
4,7-bis(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 59380760
2,2,5,7,7,10-Hexamethylbenzimidazolo[5,4-e]benzimidazole
CID 117673241
4,9-Dihexyl-2,2,5,7,7,10-hexamethylbenzimidazolo[5,4-e]benzimidazole
CID 117673251
4,9-Dihexyl-5,10-dimethyl-2,2,7,7-tetraoctylbenzimidazolo[5,4-e]benzimidazole
CID 117673290
4,5,9,10-Tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 117708808
4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 147644607
4-[(5,7-Dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
CID 149453998
6,7-Dimethyl-4-[(5-methyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
CID 159392962
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

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The IUPAC name of 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (CID 160696835) is 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.
What is the SMILES notation for 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The canonical SMILES for 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is Cc1c(C)c(C)c2c(c1C)=NCN=2.Cc1c(C)c2c3c(c(C)c(C)c2c2c1=NCN=2)=NCN=3.
What is the InChIKey of 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The InChIKey is RQCKBHFZGXWJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4.C11H14N2/c1-7-9(3)13-16(20-5-17-13)12-8(2)10(4)14-15(11(7)12)19-6-18-14;1-6-7(2)9(4)11-10(8(6)3)12-5-13-11/h5-6H2,1-4H3;5H2,1-4H3.
What are the key properties of 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole has a molecular weight of 438.58 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2H-benzimidazole;4,5,9,10-tetramethyl-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is sourced from PubChem (CID 160696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).