7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

C16H17F2N3O2 — CID 86728423

IUPAC7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)ccc3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C16H17F2N3O2/c1-16(2)9-21-14(20(16)3)7-13(19-15(21)22)23-8-10-6-11(17)4-5-12(10)18/h4-7H,8-9H2,1-3H3
InChIKeyZXJXPPPRHSOPPX-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.33
Rot. Bonds3

About 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one

7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 86728423) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID86728423
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCN1c2cc(OCc3cc(F)ccc3F)nc(=O)n2CC1(C)C
InChIInChI=1S/C16H17F2N3O2/c1-16(2)9-21-14(20(16)3)7-13(19-15(21)22)23-8-10-6-11(17)4-5-12(10)18/h4-7H,8-9H2,1-3H3
InChIKeyZXJXPPPRHSOPPX-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one (CID 86728423) is 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is CN1c2cc(OCc3cc(F)ccc3F)nc(=O)n2CC1(C)C.
What is the InChIKey of 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is ZXJXPPPRHSOPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-16(2)9-21-14(20(16)3)7-13(19-15(21)22)23-8-10-6-11(17)4-5-12(10)18/h4-7H,8-9H2,1-3H3.
What are the key properties of 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one?
7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 321.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,5-difluorophenyl)methoxy]-1,2,2-trimethyl-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 86728423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).