2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole

C21H17N3 — CID 123894505

IUPAC2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESCCc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1
InChIInChI=1S/C21H17N3/c1-2-15-12-13-17-20(14-15)24-19-11-7-6-10-18(19)23(21(24)22-17)16-8-4-3-5-9-16/h3-14H,2H2,1H3
InChIKeyAXOGNDKVVSDCGB-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.99
Rot. Bonds2

About 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole

2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 123894505) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID123894505
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESCCc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1
InChIInChI=1S/C21H17N3/c1-2-15-12-13-17-20(14-15)24-19-11-7-6-10-18(19)23(21(24)22-17)16-8-4-3-5-9-16/h3-14H,2H2,1H3
InChIKeyAXOGNDKVVSDCGB-UHFFFAOYSA-N
XLogP4.99
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
2-N,9-N,5-triphenyl-2-N,9-N-bis(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole-2,9-diamine
CID 155766540
2-[(3-ethylphenyl)methyl]-1-phenylbenzimidazole
CID 147266428
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
6,11,12-triphenyl-5-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzo[c][1,6,2,5]benzodiazadiborocine
CID 140937543
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
6-(4-chlorophenyl)-2,3-dimethylbenzimidazolo[1,2-a]benzimidazole
CID 56970734
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole (CID 123894505) is 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole is CCc1ccc2nc3n(-c4ccccc4)c4ccccc4n3c2c1.
What is the InChIKey of 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is AXOGNDKVVSDCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-2-15-12-13-17-20(14-15)24-19-11-7-6-10-18(19)23(21(24)22-17)16-8-4-3-5-9-16/h3-14H,2H2,1H3.
What are the key properties of 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole?
2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 311.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 123894505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).