(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one

C22H18N4O — CID 58229215

IUPAC(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H18N4O/c27-22-23-13-21(26(22)18-10-11-19-20(12-18)25-14-24-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,23,27)(H,24,25)/t21-/m1/s1
InChIKeyQYCCTMGDALJSAQ-OAQYLSRUSA-N
MW354.41 g/mol
LogP4.50
Rot. Bonds3

About (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one

(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one (PubChem CID 58229215) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one
PubChem CID58229215
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one
SMILESO=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H18N4O/c27-22-23-13-21(26(22)18-10-11-19-20(12-18)25-14-24-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,23,27)(H,24,25)/t21-/m1/s1
InChIKeyQYCCTMGDALJSAQ-OAQYLSRUSA-N
XLogP4.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one?
The IUPAC name of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one (CID 58229215) is (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one.
What is the SMILES notation for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one?
The canonical SMILES for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one is O=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one?
The InChIKey is QYCCTMGDALJSAQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H18N4O/c27-22-23-13-21(26(22)18-10-11-19-20(12-18)25-14-24-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,23,27)(H,24,25)/t21-/m1/s1.
What are the key properties of (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one?
(5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one has a molecular weight of 354.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(3H-benzimidazol-5-yl)-5-(4-phenylphenyl)imidazolidin-2-one is sourced from PubChem (CID 58229215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).