2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

C21H23N3O3 — CID 71625880

IUPAC2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCOc1cccc(-c2ccc3c(c2)C2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
InChIKeyZKJOZWMECIBIDN-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.91
Rot. Bonds2

About 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 71625880) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID71625880
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCOc1cccc(-c2ccc3c(c2)C2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23)
InChIKeyZKJOZWMECIBIDN-UHFFFAOYSA-N
XLogP2.91
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 71625880) is 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is COc1cccc(-c2ccc3c(c2)C2(CC(C)(C)O3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is ZKJOZWMECIBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-20(2)12-21(18(25)24(3)19(22)23-21)16-11-14(8-9-17(16)27-20)13-6-5-7-15(10-13)26-4/h5-11H,12H2,1-4H3,(H2,22,23).
What are the key properties of 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 365.43 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(3-methoxyphenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 71625880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).