2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid

C16H18BrN3O2 — CID 84647011

IUPAC2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)c(Br)n2c3cccc(C(C)(C)C)c3nc12
InChIInChI=1S/C16H18BrN3O2/c1-16(2,3)9-6-5-7-10-13(9)18-15-19(4)11(8-12(21)22)14(17)20(10)15/h5-7H,8H2,1-4H3,(H,21,22)
InChIKeyPXXDIFNAJPRLQG-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.51
Rot. Bonds2

About 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid

2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid (PubChem CID 84647011) has the molecular formula C16H18BrN3O2 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
PubChem CID84647011
Molecular FormulaC16H18BrN3O2
Molecular Weight364.24 g/mol
Exact Mass363.06
IUPAC Name2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid
SMILESCn1c(CC(=O)O)c(Br)n2c3cccc(C(C)(C)C)c3nc12
InChIInChI=1S/C16H18BrN3O2/c1-16(2,3)9-6-5-7-10-13(9)18-15-19(4)11(8-12(21)22)14(17)20(10)15/h5-7H,8H2,1-4H3,(H,21,22)
InChIKeyPXXDIFNAJPRLQG-UHFFFAOYSA-N
XLogP3.51
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
CID 84646913
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
5-ethyl-2,3-dimethylimidazo[1,2-a]benzimidazole-1-carboxylic acid
CID 84636555
(E)-3-(4-tert-butyl-1-ethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84641774
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
1-(4-bromo-1-methylbenzimidazol-2-yl)propan-2-one
CID 83866935
2-(1-bromo-5-propan-2-yl-3H-imidazo[1,2-a]benzimidazol-2-yl)acetic acid
CID 84646575
2-(5-chloro-2-methyl-3H-imidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84639275
4-bromo-2-tert-butyl-1-methylbenzimidazole
CID 82379645
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
8,16,34-tritert-butyl-26-(2,6-dimethylphenyl)-3,10,12,21,28,30-hexazaundecacyclo[18.16.1.12,12.03,11.04,9.013,18.021,29.022,27.030,37.031,36.019,38]octatriaconta-1,4,6,8,10,13(18),14,16,19(38),20(37),22,24,26,28,31(36),32,34-heptadecaene
CID 166713545

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid (CID 84647011) is 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid is Cn1c(CC(=O)O)c(Br)n2c3cccc(C(C)(C)C)c3nc12.
What is the InChIKey of 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid?
The InChIKey is PXXDIFNAJPRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O2/c1-16(2,3)9-6-5-7-10-13(9)18-15-19(4)11(8-12(21)22)14(17)20(10)15/h5-7H,8H2,1-4H3,(H,21,22).
What are the key properties of 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid?
2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid has a molecular weight of 364.24 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromo-5-tert-butyl-3-methylimidazo[1,2-a]benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 84647011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).