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

C19H18FN3O2 — CID 57384874

IUPAC6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)C1(CCO2)N=C(C)C(N)=N1
InChIInChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-5-3-12(9-15(17)19)14-10-13(20)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)
InChIKeyPVASJWZFVWATEB-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.27
Rot. Bonds2

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

6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (PubChem CID 57384874) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
PubChem CID57384874
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)C1(CCO2)N=C(C)C(N)=N1
InChIInChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-5-3-12(9-15(17)19)14-10-13(20)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23)
InChIKeyPVASJWZFVWATEB-UHFFFAOYSA-N
XLogP3.27
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (CID 57384874) is 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is COc1ccc(F)cc1-c1ccc2c(c1)C1(CCO2)N=C(C)C(N)=N1.
What is the InChIKey of 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The InChIKey is PVASJWZFVWATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-11-18(21)23-19(22-11)7-8-25-17-5-3-12(9-15(17)19)14-10-13(20)4-6-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H2,21,23).
What are the key properties of 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine has a molecular weight of 339.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methoxyphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57384874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).