2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole

C13H16N4 — CID 23572275

IUPAC2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
SMILESCCc1nc2cc3nc(C)n(C)c3cc2n1C
InChIInChI=1S/C13H16N4/c1-5-13-15-10-6-9-11(7-12(10)17(13)4)16(3)8(2)14-9/h6-7H,5H2,1-4H3
InChIKeyISZUWXSZKXBYRG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.33
Rot. Bonds1

About 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole

2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole (PubChem CID 23572275) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
PubChem CID23572275
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole
SMILESCCc1nc2cc3nc(C)n(C)c3cc2n1C
InChIInChI=1S/C13H16N4/c1-5-13-15-10-6-9-11(7-12(10)17(13)4)16(3)8(2)14-9/h6-7H,5H2,1-4H3
InChIKeyISZUWXSZKXBYRG-UHFFFAOYSA-N
XLogP2.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
ethane;2,3,6-trimethylbenzimidazol-5-ol
CID 168977189
6-ethyl-2,2-difluoro-7-methyl-[1,3]dioxolo[4,5-f]benzimidazole
CID 145257578
N-[(1,5,6-trimethylbenzimidazol-2-yl)methyl]ethanamine
CID 46785621
5,6-dimethoxy-1,2-dimethylbenzimidazole
CID 67341482
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
2-(2-chloroethyl)-1,5,6-trimethylbenzimidazole
CID 100587289
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
2-ethyl-5-isocyanato-1-methylbenzimidazole
CID 169353178
6-chloro-1,2-dimethyl-5-propan-2-ylbenzimidazole
CID 21329570
6-bromo-1,2-dimethylbenzimidazole
CID 58109509

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole?
The IUPAC name of 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole (CID 23572275) is 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole is CCc1nc2cc3nc(C)n(C)c3cc2n1C.
What is the InChIKey of 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole?
The InChIKey is ISZUWXSZKXBYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-5-13-15-10-6-9-11(7-12(10)17(13)4)16(3)8(2)14-9/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole?
2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole has a molecular weight of 228.30 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,6,7-trimethylimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 23572275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).