5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane

C28H33N3 — CID 145320681

IUPAC5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane
SMILESCC.CC.CC1CC1(C)c1ccccc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C24H21N3.2C2H6/c1-16-15-24(16,2)17-9-3-5-11-19(17)26-21-13-7-8-14-22(21)27-20-12-6-4-10-18(20)25-23(26)27;2*1-2/h3-14,16H,15H2,1-2H3;2*1-2H3
InChIKeyCMLLBNJZVGPHCF-UHFFFAOYSA-N
MW411.59 g/mol
LogP7.78
Rot. Bonds2

About 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane

5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane (PubChem CID 145320681) has the molecular formula C28H33N3 and a molecular weight of 411.59 g/mol. Its IUPAC name is 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane.

Molecular Properties

Compound Name5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane
PubChem CID145320681
Molecular FormulaC28H33N3
Molecular Weight411.59 g/mol
Exact Mass411.27
IUPAC Name5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane
SMILESCC.CC.CC1CC1(C)c1ccccc1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C24H21N3.2C2H6/c1-16-15-24(16,2)17-9-3-5-11-19(17)26-21-13-7-8-14-22(21)27-20-12-6-4-10-18(20)25-23(26)27;2*1-2/h3-14,16H,15H2,1-2H3;2*1-2H3
InChIKeyCMLLBNJZVGPHCF-UHFFFAOYSA-N
XLogP7.78
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-[5-(benzimidazolo[1,2-a]benzimidazol-5-yl)-9,9-dimethylxanthen-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140920098
5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-7,7-dimethyl-[1,2]benzazaborolo[1,2-a][1,3,2]benzodiazaborole
CID 148671313
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
CID 158374242
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-[2,6-di(propan-2-yl)phenyl]isoindole-1,3-dione
CID 121248100
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
4-(benzimidazolo[1,2-a]benzimidazol-5-yl)cyclohexa-3,5-diene-1,2-diimine
CID 144936375
5-[9-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 174282892
5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170295081
5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 121299899

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane?
The IUPAC name of 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane (CID 145320681) is 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane.
What is the SMILES notation for 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane?
The canonical SMILES for 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane is CC.CC.CC1CC1(C)c1ccccc1-n1c2ccccc2n2c3ccccc3nc12.
What is the InChIKey of 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane?
The InChIKey is CMLLBNJZVGPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3.2C2H6/c1-16-15-24(16,2)17-9-3-5-11-19(17)26-21-13-7-8-14-22(21)27-20-12-6-4-10-18(20)25-23(26)27;2*1-2/h3-14,16H,15H2,1-2H3;2*1-2H3.
What are the key properties of 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane?
5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane has a molecular weight of 411.59 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane is sourced from PubChem (CID 145320681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).