(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one

C26H24Cl2N2O2 — CID 158758797

IUPAC(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2(O)[C@H](C3CCC3)N(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H24Cl2N2O2/c1-17-4-2-7-19(16-17)26(32)24(18-5-3-6-18)29(22-12-8-20(27)9-13-22)25(31)30(26)23-14-10-21(28)11-15-23/h2,4,7-16,18,24,32H,3,5-6H2,1H3/t24-,26?/m0/s1
InChIKeyDOQMQWUNULQZSA-QSAPEBAKSA-N
MW467.40 g/mol
LogP6.76
Rot. Bonds4

About (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one

(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one (PubChem CID 158758797) has the molecular formula C26H24Cl2N2O2 and a molecular weight of 467.40 g/mol. Its IUPAC name is (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one
PubChem CID158758797
Molecular FormulaC26H24Cl2N2O2
Molecular Weight467.40 g/mol
Exact Mass466.12
IUPAC Name(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one
SMILESCc1cccc(C2(O)[C@H](C3CCC3)N(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1
InChIInChI=1S/C26H24Cl2N2O2/c1-17-4-2-7-19(16-17)26(32)24(18-5-3-6-18)29(22-12-8-20(27)9-13-22)25(31)30(26)23-14-10-21(28)11-15-23/h2,4,7-16,18,24,32H,3,5-6H2,1H3/t24-,26?/m0/s1
InChIKeyDOQMQWUNULQZSA-QSAPEBAKSA-N
XLogP6.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile
CID 163880230
(4R,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-7-oxa-1,3-diazaspiro[4.4]nonan-2-one
CID 157224478
(4S,5R)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one;(4R,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one;(4S,5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-(methoxymethyl)-5-methyl-4-(3-methylphenyl)imidazolidin-2-one
CID 160774429
(4R,5R)-1,3-bis(4-chlorophenyl)-4-methyl-5-(3-methylphenyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 157146502
(8R)-5-(4-chlorophenyl)-7-(4-isocyanophenyl)-8-(3-methylphenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one;(8S)-5-(4-chlorophenyl)-7-(4-isocyanophenyl)-8-(3-methylphenyl)-2-oxa-5,7-diazaspiro[3.4]octan-6-one
CID 161492964
1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-isocyanophenyl)-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-(3-isocyanophenyl)-5-methylimidazol-2-one
CID 159323012
4-(3-acetylphenyl)-1,3-bis(4-chlorophenyl)-4-hydroxy-5-methylimidazolidin-2-one;1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(2-hydroxypropan-2-yl)phenyl]-5-methylimidazolidin-2-one;(5S)-1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(2-hydroxypropan-2-yl)phenyl]-5-methylimidazolidin-2-one;(5R)-1,3-bis(4-chlorophenyl)-4-hydroxy-4-[3-(2-hydroxypropan-2-yl)phenyl]-5-methylimidazolidin-2-one
CID 157169002
1,3-bis(3-chlorophenyl)-4-hydroxy-5,5-dimethyl-4-(3-methylphenyl)imidazolidin-2-one
CID 161144406
1,3-bis(4-chlorophenyl)-7a-(3-methylphenyl)-4,5,6,7-tetrahydro-3aH-benzimidazol-2-one;1,3-bis(4-chlorophenyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;1,3-bis(4-chlorophenyl)-4-hydroxy-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one;bis(1,3-bis(4-chlorophenyl)-4-(3-methylphenyl)-1,3-diazaspiro[4.4]nonan-2-one);1-bromo-3-methylbenzene
CID 157086229
4-[8-hydroxy-7-(4-isocyanophenyl)-8-(3-methylphenyl)-6-oxo-5,7-diazaspiro[3.4]octan-5-yl]benzonitrile
CID 158439238
(5S)-3-(4-bromophenyl)-4-(3,5-dimethylphenyl)-4-hydroxy-5-methyl-1-(4-methylphenyl)imidazolidin-2-one
CID 163570312
trans-(1S,2R)-2-methyl-1-(3-methylphenyl)cyclopentan-1-ol
CID 124509204

Frequently Asked Questions

What is the IUPAC name of (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one (CID 158758797) is (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one is Cc1cccc(C2(O)[C@H](C3CCC3)N(c3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)c1.
What is the InChIKey of (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one?
The InChIKey is DOQMQWUNULQZSA-QSAPEBAKSA-N. The full InChI is InChI=1S/C26H24Cl2N2O2/c1-17-4-2-7-19(16-17)26(32)24(18-5-3-6-18)29(22-12-8-20(27)9-13-22)25(31)30(26)23-14-10-21(28)11-15-23/h2,4,7-16,18,24,32H,3,5-6H2,1H3/t24-,26?/m0/s1.
What are the key properties of (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one?
(5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one has a molecular weight of 467.40 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,3-bis(4-chlorophenyl)-5-cyclobutyl-4-hydroxy-4-(3-methylphenyl)imidazolidin-2-one is sourced from PubChem (CID 158758797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).