2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine

C12H7Cl2N3 — CID 706510

IUPAC2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2cn3cccnc3n2)cc1Cl
InChIInChI=1S/C12H7Cl2N3/c13-9-3-2-8(6-10(9)14)11-7-17-5-1-4-15-12(17)16-11/h1-7H
InChIKeyWOBQGTFLIRGWOE-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.70
Rot. Bonds1

About 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine

2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine (PubChem CID 706510) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
PubChem CID706510
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine
SMILESClc1ccc(-c2cn3cccnc3n2)cc1Cl
InChIInChI=1S/C12H7Cl2N3/c13-9-3-2-8(6-10(9)14)11-7-17-5-1-4-15-12(17)16-11/h1-7H
InChIKeyWOBQGTFLIRGWOE-UHFFFAOYSA-N
XLogP3.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine (CID 706510) is 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine is Clc1ccc(-c2cn3cccnc3n2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is WOBQGTFLIRGWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-9-3-2-8(6-10(9)14)11-7-17-5-1-4-15-12(17)16-11/h1-7H.
What are the key properties of 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine?
2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 264.12 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 706510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).