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

C20H21N3O — CID 57384617

IUPAC6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCOc3ccc(-c4cc(C)cc(C)c4)cc32)N=C1N
InChIInChI=1S/C20H21N3O/c1-12-8-13(2)10-16(9-12)15-4-5-18-17(11-15)20(6-7-24-18)22-14(3)19(21)23-20/h4-5,8-11H,6-7H2,1-3H3,(H2,21,23)
InChIKeyXVHSHDMIBQAYGQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.74
Rot. Bonds1

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

6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (PubChem CID 57384617) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
PubChem CID57384617
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine
SMILESCC1=NC2(CCOc3ccc(-c4cc(C)cc(C)c4)cc32)N=C1N
InChIInChI=1S/C20H21N3O/c1-12-8-13(2)10-16(9-12)15-4-5-18-17(11-15)20(6-7-24-18)22-14(3)19(21)23-20/h4-5,8-11H,6-7H2,1-3H3,(H2,21,23)
InChIKeyXVHSHDMIBQAYGQ-UHFFFAOYSA-N
XLogP3.74
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The IUPAC name of 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine (CID 57384617) is 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The canonical SMILES for 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is CC1=NC2(CCOc3ccc(-c4cc(C)cc(C)c4)cc32)N=C1N.
What is the InChIKey of 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
The InChIKey is XVHSHDMIBQAYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-12-8-13(2)10-16(9-12)15-4-5-18-17(11-15)20(6-7-24-18)22-14(3)19(21)23-20/h4-5,8-11H,6-7H2,1-3H3,(H2,21,23).
What are the key properties of 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine?
6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine has a molecular weight of 319.41 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-5'-methylspiro[2,3-dihydrochromene-4,2'-imidazole]-4'-amine is sourced from PubChem (CID 57384617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).