3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid

C16H19N3O2 — CID 84643554

IUPAC3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCC(C)(C)c1ccc2nc3[nH]c(CCC(=O)O)cn3c2c1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)10-4-6-12-13(8-10)19-9-11(5-7-14(20)21)17-15(19)18-12/h4,6,8-9H,5,7H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyWWASFGZRJIRWPY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.13
Rot. Bonds3

About 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid

3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (PubChem CID 84643554) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
PubChem CID84643554
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
SMILESCC(C)(C)c1ccc2nc3[nH]c(CCC(=O)O)cn3c2c1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)10-4-6-12-13(8-10)19-9-11(5-7-14(20)21)17-15(19)18-12/h4,6,8-9H,5,7H2,1-3H3,(H,17,18)(H,20,21)
InChIKeyWWASFGZRJIRWPY-UHFFFAOYSA-N
XLogP3.13
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)methanamine
CID 84630361
3-(5-bromo-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84645039
N-methyl-2-(7-methyl-3H-imidazo[1,2-a]benzimidazol-2-yl)ethanamine
CID 84625486
3-(5-tert-butyl-1-methylbenzimidazol-2-yl)propanoic acid
CID 84638243
3-(5-tert-butyl-1,3-benzoxazol-2-yl)propanoic acid
CID 43554566
3-(7H-imidazo[1,2-a]imidazol-6-yl)propanoic acid
CID 82409719
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246
3-(7-fluoro-3-methylimidazo[1,2-a]benzimidazol-2-yl)propanoic acid
CID 84638484
2-(6-tert-butyl-2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 10245690
3-(6-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 54772684
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
4-(4-tert-butyl-2-methylphenyl)butanoic acid
CID 82496433

Frequently Asked Questions

What is the IUPAC name of 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The IUPAC name of 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid (CID 84643554) is 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The canonical SMILES for 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is CC(C)(C)c1ccc2nc3[nH]c(CCC(=O)O)cn3c2c1.
What is the InChIKey of 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
The InChIKey is WWASFGZRJIRWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)10-4-6-12-13(8-10)19-9-11(5-7-14(20)21)17-15(19)18-12/h4,6,8-9H,5,7H2,1-3H3,(H,17,18)(H,20,21).
What are the key properties of 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid?
3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid has a molecular weight of 285.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-tert-butyl-3H-imidazo[1,2-a]benzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 84643554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).