2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

C15H17N3O2 — CID 84641648

IUPAC2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1cc(C)c2nc3n(C)c(C)c(CC(=O)O)n3c2c1
InChIInChI=1S/C15H17N3O2/c1-8-5-9(2)14-12(6-8)18-11(7-13(19)20)10(3)17(4)15(18)16-14/h5-6H,7H2,1-4H3,(H,19,20)
InChIKeyPTYPCWMNDHGTGQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid

2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 84641648) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
PubChem CID84641648
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCc1cc(C)c2nc3n(C)c(C)c(CC(=O)O)n3c2c1
InChIInChI=1S/C15H17N3O2/c1-8-5-9(2)14-12(6-8)18-11(7-13(19)20)10(3)17(4)15(18)16-14/h5-6H,7H2,1-4H3,(H,19,20)
InChIKeyPTYPCWMNDHGTGQ-UHFFFAOYSA-N
XLogP2.38
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641639
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
2-(7-fluoro-2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84638486
1,2,4,6-tetramethylbenzimidazole
CID 58565379
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
1-bromo-5,7-dimethyl-3H-imidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84645044
2-(2-chloro-6,8-dimethylquinolin-3-yl)acetic acid
CID 84633593
potassium;1-methanidylphosphanyl-4-(2,4,6-trimethylbenzimidazol-1-yl)butan-1-one;vanadium
CID 167643136
4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
CID 82500354
4-oxo-4-(1,2,4,6-tetramethylindol-3-yl)butanoic acid
CID 82502109
2-(4,6-dimethyl-1H-benzimidazol-2-yl)acetic acid
CID 3159719
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid (CID 84641648) is 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is Cc1cc(C)c2nc3n(C)c(C)c(CC(=O)O)n3c2c1.
What is the InChIKey of 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is PTYPCWMNDHGTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-5-9(2)14-12(6-8)18-11(7-13(19)20)10(3)17(4)15(18)16-14/h5-6H,7H2,1-4H3,(H,19,20).
What are the key properties of 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid?
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84641648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).