7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

C20H25ClFN3O2 — CID 145002934

IUPAC7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCCC1Cn2c(cc(OCc3ccc(F)c(Cl)c3)nc2=O)N1CCC(C)C
InChIInChI=1S/C20H25ClFN3O2/c1-4-15-11-25-19(24(15)8-7-13(2)3)10-18(23-20(25)26)27-12-14-5-6-17(22)16(21)9-14/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3
InChIKeyUBPMYJIPXCRQAZ-UHFFFAOYSA-N
MW393.89 g/mol
LogP4.26
Rot. Bonds7

About 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one

7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (PubChem CID 145002934) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
PubChem CID145002934
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one
SMILESCCC1Cn2c(cc(OCc3ccc(F)c(Cl)c3)nc2=O)N1CCC(C)C
InChIInChI=1S/C20H25ClFN3O2/c1-4-15-11-25-19(24(15)8-7-13(2)3)10-18(23-20(25)26)27-12-14-5-6-17(22)16(21)9-14/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3
InChIKeyUBPMYJIPXCRQAZ-UHFFFAOYSA-N
XLogP4.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one (CID 145002934) is 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is CCC1Cn2c(cc(OCc3ccc(F)c(Cl)c3)nc2=O)N1CCC(C)C.
What is the InChIKey of 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is UBPMYJIPXCRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-4-15-11-25-19(24(15)8-7-13(2)3)10-18(23-20(25)26)27-12-14-5-6-17(22)16(21)9-14/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3.
What are the key properties of 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one?
7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 393.89 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloro-4-fluorophenyl)methoxy]-2-ethyl-1-(3-methylbutyl)-2,3-dihydroimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 145002934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).