7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

C16H17F2N3O2 — CID 71243825

IUPAC7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCC(C)N1CCn2c1cc(OCc1ccc(F)c(F)c1)nc2=O
InChIInChI=1S/C16H17F2N3O2/c1-10(2)20-5-6-21-15(20)8-14(19-16(21)22)23-9-11-3-4-12(17)13(18)7-11/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBSZOKDJFXGJRAL-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.33
Rot. Bonds4

About 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 71243825) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID71243825
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCC(C)N1CCn2c1cc(OCc1ccc(F)c(F)c1)nc2=O
InChIInChI=1S/C16H17F2N3O2/c1-10(2)20-5-6-21-15(20)8-14(19-16(21)22)23-9-11-3-4-12(17)13(18)7-11/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyBSZOKDJFXGJRAL-UHFFFAOYSA-N
XLogP2.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 71243825) is 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is CC(C)N1CCn2c1cc(OCc1ccc(F)c(F)c1)nc2=O.
What is the InChIKey of 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is BSZOKDJFXGJRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10(2)20-5-6-21-15(20)8-14(19-16(21)22)23-9-11-3-4-12(17)13(18)7-11/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 321.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methoxy]-1-propan-2-yl-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 71243825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).