6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

C18H16F5N3O2 — CID 158747446

IUPAC6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(-c3ccc(OCC(C)(F)F)cc3)c(C(F)(F)F)nc2n1C
InChIInChI=1S/C18H16F5N3O2/c1-10-8-26-15(27)13(14(18(21,22)23)24-16(26)25(10)3)11-4-6-12(7-5-11)28-9-17(2,19)20/h4-8H,9H2,1-3H3
InChIKeyINAYPCXVECHZFQ-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.06
Rot. Bonds4

About 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one

6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (PubChem CID 158747446) has the molecular formula C18H16F5N3O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
PubChem CID158747446
Molecular FormulaC18H16F5N3O2
Molecular Weight401.34 g/mol
Exact Mass401.12
IUPAC Name6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(-c3ccc(OCC(C)(F)F)cc3)c(C(F)(F)F)nc2n1C
InChIInChI=1S/C18H16F5N3O2/c1-10-8-26-15(27)13(14(18(21,22)23)24-16(26)25(10)3)11-4-6-12(7-5-11)28-9-17(2,19)20/h4-8H,9H2,1-3H3
InChIKeyINAYPCXVECHZFQ-UHFFFAOYSA-N
XLogP4.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one (CID 158747446) is 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(-c3ccc(OCC(C)(F)F)cc3)c(C(F)(F)F)nc2n1C.
What is the InChIKey of 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is INAYPCXVECHZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N3O2/c1-10-8-26-15(27)13(14(18(21,22)23)24-16(26)25(10)3)11-4-6-12(7-5-11)28-9-17(2,19)20/h4-8H,9H2,1-3H3.
What are the key properties of 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one?
6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 401.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2-difluoropropoxy)phenyl]-1,2-dimethyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 158747446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).