3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one

C22H23N3O3 — CID 58229114

IUPAC3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(C3CCC(O)CC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H23N3O3/c26-18-8-5-15(6-9-18)14-1-3-16(4-2-14)21-12-28-22(27)25(21)17-7-10-19-20(11-17)24-13-23-19/h1-4,7,10-11,13,15,18,21,26H,5-6,8-9,12H2,(H,23,24)
InChIKeyUHIWZRXMRYDNOR-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.28
Rot. Bonds3

About 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one

3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229114) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58229114
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccc(C3CCC(O)CC3)cc2)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H23N3O3/c26-18-8-5-15(6-9-18)14-1-3-16(4-2-14)21-12-28-22(27)25(21)17-7-10-19-20(11-17)24-13-23-19/h1-4,7,10-11,13,15,18,21,26H,5-6,8-9,12H2,(H,23,24)
InChIKeyUHIWZRXMRYDNOR-UHFFFAOYSA-N
XLogP4.28
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(4-phenylpiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 50939051
(4S)-3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 90436321
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropyrrolidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 118692958
3-(3H-benzimidazol-5-yl)-4-[2-fluoro-4-[4-(trifluoromethyl)cyclooctyl]phenyl]-1,3-oxazolidin-2-one
CID 172563059
3-(3H-benzimidazol-5-yl)-4-(3-piperidin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 67036307
(4S)-3-(3H-benzimidazol-5-yl)-4-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 58229168
3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
CID 67117327
3-(3H-benzimidazol-5-yl)-4-[4-[4-(2-hydroxyethylamino)cyclohexyl]cyclohexa-1,3-dien-1-yl]-1,3-oxazolidin-2-one
CID 123749253
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
(4S)-3-(7-methyl-3H-benzimidazol-5-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 67036290
3-(3H-benzimidazol-5-yl)-4-[4-(3,3-difluoropropoxy)-2,3-difluorophenyl]-1,3-oxazolidin-2-one
CID 118692963

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 58229114) is 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is O=C1OCC(c2ccc(C3CCC(O)CC3)cc2)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UHIWZRXMRYDNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-18-8-5-15(6-9-18)14-1-3-16(4-2-14)21-12-28-22(27)25(21)17-7-10-19-20(11-17)24-13-23-19/h1-4,7,10-11,13,15,18,21,26H,5-6,8-9,12H2,(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).