2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid

C20H15N3O3 — CID 83779274

IUPAC2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cn4cc(C(=O)O)cnc4n3)cc2)cc1
InChIInChI=1S/C20H15N3O3/c1-26-17-8-6-14(7-9-17)13-2-4-15(5-3-13)18-12-23-11-16(19(24)25)10-21-20(23)22-18/h2-12H,1H3,(H,24,25)
InChIKeySSUNDLYTHLHXIU-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.77
Rot. Bonds4

About 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid

2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid (PubChem CID 83779274) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
PubChem CID83779274
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid
SMILESCOc1ccc(-c2ccc(-c3cn4cc(C(=O)O)cnc4n3)cc2)cc1
InChIInChI=1S/C20H15N3O3/c1-26-17-8-6-14(7-9-17)13-2-4-15(5-3-13)18-12-23-11-16(19(24)25)10-21-20(23)22-18/h2-12H,1H3,(H,24,25)
InChIKeySSUNDLYTHLHXIU-UHFFFAOYSA-N
XLogP3.77
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(6-bromoimidazo[1,2-a]pyrimidin-2-yl)benzoate
CID 45158634
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
5-(4-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983912
6-(4-methoxyphenyl)-1,2,4-triazine-3-carboxylic acid
CID 82390734
N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide
CID 142595755
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371025
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
2-(2,5-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 82371033
[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl] methyl carbonate
CID 67286265
4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)benzoic acid
CID 164581256

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid (CID 83779274) is 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid is COc1ccc(-c2ccc(-c3cn4cc(C(=O)O)cnc4n3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid?
The InChIKey is SSUNDLYTHLHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-17-8-6-14(7-9-17)13-2-4-15(5-3-13)18-12-23-11-16(19(24)25)10-21-20(23)22-18/h2-12H,1H3,(H,24,25).
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid?
2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid has a molecular weight of 345.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]imidazo[1,2-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 83779274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).