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

C18H21F2N3O2 — CID 86728426

IUPAC7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCC(C)N1c2cc(OCc3cc(F)cc(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C18H21F2N3O2/c1-11(2)23-16-8-15(21-17(24)22(16)10-18(23,3)4)25-9-12-5-13(19)7-14(20)6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyCWGOYMPDRMDRRC-UHFFFAOYSA-N
MW349.38 g/mol
LogP3.11
Rot. Bonds4

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

7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 86728426) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID86728426
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one
SMILESCC(C)N1c2cc(OCc3cc(F)cc(F)c3)nc(=O)n2CC1(C)C
InChIInChI=1S/C18H21F2N3O2/c1-11(2)23-16-8-15(21-17(24)22(16)10-18(23,3)4)25-9-12-5-13(19)7-14(20)6-12/h5-8,11H,9-10H2,1-4H3
InChIKeyCWGOYMPDRMDRRC-UHFFFAOYSA-N
XLogP3.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one (CID 86728426) is 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one is CC(C)N1c2cc(OCc3cc(F)cc(F)c3)nc(=O)n2CC1(C)C.
What is the InChIKey of 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is CWGOYMPDRMDRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-11(2)23-16-8-15(21-17(24)22(16)10-18(23,3)4)25-9-12-5-13(19)7-14(20)6-12/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one?
7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 349.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,5-difluorophenyl)methoxy]-2,2-dimethyl-1-propan-2-yl-3H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 86728426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).