6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

C18H15F2N3O — CID 57384616

IUPAC6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C18H15F2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23)
InChIKeyXPBCXYLXDCQPPG-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.40
Rot. Bonds1

About 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine

6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (PubChem CID 57384616) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
PubChem CID57384616
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C18H15F2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23)
InChIKeyXPBCXYLXDCQPPG-UHFFFAOYSA-N
XLogP3.40
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (CID 57384616) is 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is CC1=NC2(CCOc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N.
What is the InChIKey of 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The InChIKey is XPBCXYLXDCQPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-10-17(21)23-18(22-10)4-5-24-16-3-2-11(8-15(16)18)12-6-13(19)9-14(20)7-12/h2-3,6-9H,4-5H2,1H3,(H2,21,23).
What are the key properties of 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine has a molecular weight of 327.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57384616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).