3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C24H23N3O2 — CID 123487149

IUPAC3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(N3CNc4ccccc43)cc2)C1c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-24(2)22(17-8-4-3-5-9-17)27(23(28)29-24)19-14-12-18(13-15-19)26-16-25-20-10-6-7-11-21(20)26/h3-15,22,25H,16H2,1-2H3
InChIKeyTVOXUHWBFVKJNB-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.68
Rot. Bonds3

About 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123487149) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID123487149
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(N3CNc4ccccc43)cc2)C1c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-24(2)22(17-8-4-3-5-9-17)27(23(28)29-24)19-14-12-18(13-15-19)26-16-25-20-10-6-7-11-21(20)26/h3-15,22,25H,16H2,1-2H3
InChIKeyTVOXUHWBFVKJNB-UHFFFAOYSA-N
XLogP5.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
CID 123402499
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 67036550
4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide
CID 71680863
(4S)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-yl-1H-pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(2-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 157249283
methyl 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]propanoate
CID 174344173
(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 102477049
1H-benzimidazole;3-phenyl-1,2-dihydrobenzimidazole
CID 66648186
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4,5-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 54316165

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 123487149) is 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccc(N3CNc4ccccc43)cc2)C1c1ccccc1.
What is the InChIKey of 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is TVOXUHWBFVKJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-24(2)22(17-8-4-3-5-9-17)27(23(28)29-24)19-14-12-18(13-15-19)26-16-25-20-10-6-7-11-21(20)26/h3-15,22,25H,16H2,1-2H3.
What are the key properties of 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 385.47 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123487149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).