2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

C15H17N3O2 — CID 84641639

IUPAC2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCCc1cccc2c1nc1n(C)c(C)c(CC(=O)O)n21
InChIInChI=1S/C15H17N3O2/c1-4-10-6-5-7-11-14(10)16-15-17(3)9(2)12(18(11)15)8-13(19)20/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyLGVDZKHTJKVNBF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.32
Rot. Bonds3

About 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 84641639) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
PubChem CID84641639
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCCc1cccc2c1nc1n(C)c(C)c(CC(=O)O)n21
InChIInChI=1S/C15H17N3O2/c1-4-10-6-5-7-11-14(10)16-15-17(3)9(2)12(18(11)15)8-13(19)20/h5-7H,4,8H2,1-3H3,(H,19,20)
InChIKeyLGVDZKHTJKVNBF-UHFFFAOYSA-N
XLogP2.32
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84638486
2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84647011
azane;2,4-diethyl-1-methylbenzimidazole
CID 69090242
4-ethyl-1-methyl-2-(3-methylbut-2-en-2-yl)benzimidazole
CID 118336706
3-(1-bromo-5-ethyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84646573
2-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
4-ethyl-1,2,3-trimethylindole
CID 118253289
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
2-(7-ethyl-1-methylindol-2-yl)acetic acid
CID 83859943

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (CID 84641639) is 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is CCc1cccc2c1nc1n(C)c(C)c(CC(=O)O)n21.
What is the InChIKey of 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is LGVDZKHTJKVNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-10-6-5-7-11-14(10)16-15-17(3)9(2)12(18(11)15)8-13(19)20/h5-7H,4,8H2,1-3H3,(H,19,20).
What are the key properties of 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84641639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).