3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

C19H13BrN4O2 — CID 50907699

IUPAC3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccc(Br)cc3)c(Nc3ccccc3)n2c1
InChIInChI=1S/C19H13BrN4O2/c20-14-8-6-12(7-9-14)16-17(22-15-4-2-1-3-5-15)24-11-13(18(25)26)10-21-19(24)23-16/h1-11,22H,(H,25,26)
InChIKeySLINUARMNNZTHZ-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.60
Rot. Bonds4

About 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid

3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 50907699) has the molecular formula C19H13BrN4O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID50907699
Molecular FormulaC19H13BrN4O2
Molecular Weight409.24 g/mol
Exact Mass408.02
IUPAC Name3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccc(Br)cc3)c(Nc3ccccc3)n2c1
InChIInChI=1S/C19H13BrN4O2/c20-14-8-6-12(7-9-14)16-17(22-15-4-2-1-3-5-15)24-11-13(18(25)26)10-21-19(24)23-16/h1-11,22H,(H,25,26)
InChIKeySLINUARMNNZTHZ-UHFFFAOYSA-N
XLogP4.60
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-phenylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 113303483
6-(6-fluoro-1H-benzimidazol-2-yl)-2-(4-phenoxyphenyl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 50907915
3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzoic acid
CID 53207883
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
N-(6-bromo-2-phenylimidazo[1,2-a]pyrimidin-3-yl)-4-chlorobenzenesulfonamide
CID 122392307
[4-[6-bromo-3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N-phenylcarbamate
CID 154702120
2-(1H-indazol-5-yl)-N-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 68721203
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
4-[3-(4-ethoxyanilino)imidazo[1,2-a]pyrazin-2-yl]benzoic acid
CID 53208276
4-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003283
3-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]benzoic acid
CID 53003286

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 50907699) is 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3ccc(Br)cc3)c(Nc3ccccc3)n2c1.
What is the InChIKey of 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is SLINUARMNNZTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O2/c20-14-8-6-12(7-9-14)16-17(22-15-4-2-1-3-5-15)24-11-13(18(25)26)10-21-19(24)23-16/h1-11,22H,(H,25,26).
What are the key properties of 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid?
3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 409.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(4-bromophenyl)imidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 50907699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).