7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine

C17H19ClFN3O — CID 130314630

IUPAC7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine
SMILESC=C1N=C(OCc2ccc(Cl)c(F)c2)C=C2N1CC(C)(C)N2C
InChIInChI=1S/C17H19ClFN3O/c1-11-20-15(8-16-21(4)17(2,3)10-22(11)16)23-9-12-5-6-13(18)14(19)7-12/h5-8H,1,9-10H2,2-4H3
InChIKeyUKYIVLKRKUSMPE-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.75
Rot. Bonds2

About 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine

7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine (PubChem CID 130314630) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine
PubChem CID130314630
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine
SMILESC=C1N=C(OCc2ccc(Cl)c(F)c2)C=C2N1CC(C)(C)N2C
InChIInChI=1S/C17H19ClFN3O/c1-11-20-15(8-16-21(4)17(2,3)10-22(11)16)23-9-12-5-6-13(18)14(19)7-12/h5-8H,1,9-10H2,2-4H3
InChIKeyUKYIVLKRKUSMPE-UHFFFAOYSA-N
XLogP3.75
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine with MolForge

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Related Compounds

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CID 139312578
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CID 144673131
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
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1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
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4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
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3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2,2-dimethyl-5-methylidene-7-[(3,4,5-trifluorophenyl)methoxy]-3,8-dihydroimidazo[1,2-c]pyrimidine
CID 123177932
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine (CID 130314630) is 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine is C=C1N=C(OCc2ccc(Cl)c(F)c2)C=C2N1CC(C)(C)N2C.
What is the InChIKey of 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine?
The InChIKey is UKYIVLKRKUSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-11-20-15(8-16-21(4)17(2,3)10-22(11)16)23-9-12-5-6-13(18)14(19)7-12/h5-8H,1,9-10H2,2-4H3.
What are the key properties of 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine?
7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine has a molecular weight of 335.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-fluorophenyl)methoxy]-1,2,2-trimethyl-5-methylidene-3H-imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 130314630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).