ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate

C27H22ClN3O4 — CID 172556786

IUPACethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate
SMILESCCOC(=O)C1N(c2cccc(Cl)c2)C(c2ccccc2)=NC12C(=O)N(C(C)=O)c1ccccc12
InChIInChI=1S/C27H22ClN3O4/c1-3-35-25(33)23-27(21-14-7-8-15-22(21)30(17(2)32)26(27)34)29-24(18-10-5-4-6-11-18)31(23)20-13-9-12-19(28)16-20/h4-16,23H,3H2,1-2H3
InChIKeySLZWXROHIVAPPI-UHFFFAOYSA-N
MW487.94 g/mol
LogP4.33
Rot. Bonds4

About ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate

ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate (PubChem CID 172556786) has the molecular formula C27H22ClN3O4 and a molecular weight of 487.94 g/mol. Its IUPAC name is ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate
PubChem CID172556786
Molecular FormulaC27H22ClN3O4
Molecular Weight487.94 g/mol
Exact Mass487.13
IUPAC Nameethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate
SMILESCCOC(=O)C1N(c2cccc(Cl)c2)C(c2ccccc2)=NC12C(=O)N(C(C)=O)c1ccccc12
InChIInChI=1S/C27H22ClN3O4/c1-3-35-25(33)23-27(21-14-7-8-15-22(21)30(17(2)32)26(27)34)29-24(18-10-5-4-6-11-18)31(23)20-13-9-12-19(28)16-20/h4-16,23H,3H2,1-2H3
InChIKeySLZWXROHIVAPPI-UHFFFAOYSA-N
XLogP4.33
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.94
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate?
The IUPAC name of ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate (CID 172556786) is ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate.
What is the SMILES notation for ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate?
The canonical SMILES for ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate is CCOC(=O)C1N(c2cccc(Cl)c2)C(c2ccccc2)=NC12C(=O)N(C(C)=O)c1ccccc12.
What is the InChIKey of ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate?
The InChIKey is SLZWXROHIVAPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClN3O4/c1-3-35-25(33)23-27(21-14-7-8-15-22(21)30(17(2)32)26(27)34)29-24(18-10-5-4-6-11-18)31(23)20-13-9-12-19(28)16-20/h4-16,23H,3H2,1-2H3.
What are the key properties of ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate?
ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate has a molecular weight of 487.94 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-acetyl-3-(3-chlorophenyl)-2'-oxo-2-phenylspiro[4H-imidazole-5,3'-indole]-4-carboxylate is sourced from PubChem (CID 172556786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).