1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

C15H15ClFN3O2 — CID 53193201

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(n1)N(Cc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C15H15ClFN3O2/c1-22-9-12-7-14(21)20-5-4-19(15(20)18-12)8-10-2-3-11(17)6-13(10)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyKQULQGQRGQYATG-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one

1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (PubChem CID 53193201) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
PubChem CID53193201
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one
SMILESCOCc1cc(=O)n2c(n1)N(Cc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C15H15ClFN3O2/c1-22-9-12-7-14(21)20-5-4-19(15(20)18-12)8-10-2-3-11(17)6-13(10)16/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyKQULQGQRGQYATG-UHFFFAOYSA-N
XLogP2.20
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one (CID 53193201) is 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is COCc1cc(=O)n2c(n1)N(Cc1ccc(F)cc1Cl)CC2.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
The InChIKey is KQULQGQRGQYATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c1-22-9-12-7-14(21)20-5-4-19(15(20)18-12)8-10-2-3-11(17)6-13(10)16/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one?
1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one has a molecular weight of 323.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-7-(methoxymethyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 53193201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).