4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one

C35H30Cl2N4O — CID 69310932

IUPAC4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one
SMILESC[C@@H](Nc1nc(-c2ccc(Cl)cc2)n(C)c1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccccc1
InChIInChI=1S/C35H30Cl2N4O/c1-22(24-8-5-4-6-9-24)38-34-32(41(3)35(39-34)25-13-15-27(36)16-14-25)19-23-12-17-31-30(18-23)29(21-33(42)40(31)2)26-10-7-11-28(37)20-26/h4-18,20-22,38H,19H2,1-3H3/t22-/m1/s1
InChIKeyIXLJPPHRCXDJBQ-JOCHJYFZSA-N
MW593.56 g/mol
LogP8.68
Rot. Bonds7

About 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one

4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one (PubChem CID 69310932) has the molecular formula C35H30Cl2N4O and a molecular weight of 593.56 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one
PubChem CID69310932
Molecular FormulaC35H30Cl2N4O
Molecular Weight593.56 g/mol
Exact Mass592.18
IUPAC Name4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one
SMILESC[C@@H](Nc1nc(-c2ccc(Cl)cc2)n(C)c1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccccc1
InChIInChI=1S/C35H30Cl2N4O/c1-22(24-8-5-4-6-9-24)38-34-32(41(3)35(39-34)25-13-15-27(36)16-14-25)19-23-12-17-31-30(18-23)29(21-33(42)40(31)2)26-10-7-11-28(37)20-26/h4-18,20-22,38H,19H2,1-3H3/t22-/m1/s1
InChIKeyIXLJPPHRCXDJBQ-JOCHJYFZSA-N
XLogP8.68
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.56
LogP ≤ 58.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one (CID 69310932) is 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one is C[C@@H](Nc1nc(-c2ccc(Cl)cc2)n(C)c1Cc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one?
The InChIKey is IXLJPPHRCXDJBQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C35H30Cl2N4O/c1-22(24-8-5-4-6-9-24)38-34-32(41(3)35(39-34)25-13-15-27(36)16-14-25)19-23-12-17-31-30(18-23)29(21-33(42)40(31)2)26-10-7-11-28(37)20-26/h4-18,20-22,38H,19H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one has a molecular weight of 593.56 g/mol, XLogP of 8.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 69310932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).