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

C20H16FN3O — CID 25145512

IUPAC6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cc2cnc3ncc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C20H16FN3O/c1-25-19-8-2-14(3-9-19)10-18-12-23-20-22-11-16(13-24(18)20)15-4-6-17(21)7-5-15/h2-9,11-13H,10H2,1H3
InChIKeyDJIOWWZVRZHPMS-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.13
Rot. Bonds4

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

6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 25145512) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine
PubChem CID25145512
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cc2cnc3ncc(-c4ccc(F)cc4)cn23)cc1
InChIInChI=1S/C20H16FN3O/c1-25-19-8-2-14(3-9-19)10-18-12-23-20-22-11-16(13-24(18)20)15-4-6-17(21)7-5-15/h2-9,11-13H,10H2,1H3
InChIKeyDJIOWWZVRZHPMS-UHFFFAOYSA-N
XLogP4.13
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.13
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-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine (CID 25145512) is 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine is COc1ccc(Cc2cnc3ncc(-c4ccc(F)cc4)cn23)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is DJIOWWZVRZHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-25-19-8-2-14(3-9-19)10-18-12-23-20-22-11-16(13-24(18)20)15-4-6-17(21)7-5-15/h2-9,11-13H,10H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine?
6-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 333.37 g/mol, XLogP of 4.13, 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-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 25145512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).