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

C22H21N3O3 — CID 58229099

IUPAC3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1
InChIInChI=1S/C22H21N3O3/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/h1-4,7,10-11,13,15,21H,5-6,8-9,12H2,(H,23,24)
InChIKeyUCCBYBIZZWTOKV-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.49
Rot. Bonds3

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

3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229099) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58229099
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1
InChIInChI=1S/C22H21N3O3/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/h1-4,7,10-11,13,15,21H,5-6,8-9,12H2,(H,23,24)
InChIKeyUCCBYBIZZWTOKV-UHFFFAOYSA-N
XLogP4.49
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 58229099) is 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one is O=C1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is UCCBYBIZZWTOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/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/h1-4,7,10-11,13,15,21H,5-6,8-9,12H2,(H,23,24).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-[4-(4-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 375.43 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 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-oxocyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).