2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine

C12H8ClN3 — CID 697292

IUPAC2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C12H8ClN3/c13-10-4-2-9(3-5-10)11-8-16-7-1-6-14-12(16)15-11/h1-8H
InChIKeyMNORHLFOJIFIDA-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.05
Rot. Bonds1

About 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine

2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 697292) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
PubChem CID697292
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C12H8ClN3/c13-10-4-2-9(3-5-10)11-8-16-7-1-6-14-12(16)15-11/h1-8H
InChIKeyMNORHLFOJIFIDA-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine (CID 697292) is 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine is Clc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is MNORHLFOJIFIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-10-4-2-9(3-5-10)11-8-16-7-1-6-14-12(16)15-11/h1-8H.
What are the key properties of 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine?
2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 229.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 697292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).