6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine

C22H18FN3O — CID 25145513

IUPAC6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(C2(c3cnc4ncc(-c5ccc(F)cc5)cn34)CC2)cc1
InChIInChI=1S/C22H18FN3O/c1-27-19-8-4-17(5-9-19)22(10-11-22)20-13-25-21-24-12-16(14-26(20)21)15-2-6-18(23)7-3-15/h2-9,12-14H,10-11H2,1H3
InChIKeyGVXCNEIGNURNGQ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.62
Rot. Bonds4

About 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine

6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine (PubChem CID 25145513) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine
PubChem CID25145513
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(C2(c3cnc4ncc(-c5ccc(F)cc5)cn34)CC2)cc1
InChIInChI=1S/C22H18FN3O/c1-27-19-8-4-17(5-9-19)22(10-11-22)20-13-25-21-24-12-16(14-26(20)21)15-2-6-18(23)7-3-15/h2-9,12-14H,10-11H2,1H3
InChIKeyGVXCNEIGNURNGQ-UHFFFAOYSA-N
XLogP4.62
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine (CID 25145513) is 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine is COc1ccc(C2(c3cnc4ncc(-c5ccc(F)cc5)cn34)CC2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine?
The InChIKey is GVXCNEIGNURNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-27-19-8-4-17(5-9-19)22(10-11-22)20-13-25-21-24-12-16(14-26(20)21)15-2-6-18(23)7-3-15/h2-9,12-14H,10-11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine?
6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine has a molecular weight of 359.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 25145513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).