(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

C27H26ClN3O3 — CID 53246312

IUPAC(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCOc1ccc(C[C@]2(C)CC3(N=C(N)N(C)C3=O)c3cc(-c4cccc(Cl)c4)ccc3O2)cc1
InChIInChI=1S/C27H26ClN3O3/c1-26(15-17-7-10-21(33-3)11-8-17)16-27(24(32)31(2)25(29)30-27)22-14-19(9-12-23(22)34-26)18-5-4-6-20(28)13-18/h4-14H,15-16H2,1-3H3,(H2,29,30)/t26-,27?/m1/s1
InChIKeyBGBRFETZJYSRPC-AVJYQCBHSA-N
MW475.98 g/mol
LogP4.78
Rot. Bonds4

About (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one

(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 53246312) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID53246312
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCOc1ccc(C[C@]2(C)CC3(N=C(N)N(C)C3=O)c3cc(-c4cccc(Cl)c4)ccc3O2)cc1
InChIInChI=1S/C27H26ClN3O3/c1-26(15-17-7-10-21(33-3)11-8-17)16-27(24(32)31(2)25(29)30-27)22-14-19(9-12-23(22)34-26)18-5-4-6-20(28)13-18/h4-14H,15-16H2,1-3H3,(H2,29,30)/t26-,27?/m1/s1
InChIKeyBGBRFETZJYSRPC-AVJYQCBHSA-N
XLogP4.78
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 53246312) is (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is COc1ccc(C[C@]2(C)CC3(N=C(N)N(C)C3=O)c3cc(-c4cccc(Cl)c4)ccc3O2)cc1.
What is the InChIKey of (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is BGBRFETZJYSRPC-AVJYQCBHSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-26(15-17-7-10-21(33-3)11-8-17)16-27(24(32)31(2)25(29)30-27)22-14-19(9-12-23(22)34-26)18-5-4-6-20(28)13-18/h4-14H,15-16H2,1-3H3,(H2,29,30)/t26-,27?/m1/s1.
What are the key properties of (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 475.98 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53246312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).