7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine

C17H13N3O — CID 138969242

IUPAC7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cccc(-c2cc(-c3ccco3)nc3nccn23)c1
InChIInChI=1S/C17H13N3O/c1-12-4-2-5-13(10-12)15-11-14(16-6-3-9-21-16)19-17-18-7-8-20(15)17/h2-11H,1H3
InChIKeyUAELDNSEJAGCHR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.96
Rot. Bonds2

About 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine

7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 138969242) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID138969242
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1cccc(-c2cc(-c3ccco3)nc3nccn23)c1
InChIInChI=1S/C17H13N3O/c1-12-4-2-5-13(10-12)15-11-14(16-6-3-9-21-16)19-17-18-7-8-20(15)17/h2-11H,1H3
InChIKeyUAELDNSEJAGCHR-UHFFFAOYSA-N
XLogP3.96
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine (CID 138969242) is 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine is Cc1cccc(-c2cc(-c3ccco3)nc3nccn23)c1.
What is the InChIKey of 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is UAELDNSEJAGCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-12-4-2-5-13(10-12)15-11-14(16-6-3-9-21-16)19-17-18-7-8-20(15)17/h2-11H,1H3.
What are the key properties of 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine?
7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 275.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-5-(3-methylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 138969242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).