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

C23H25N3O3 — CID 58229027

IUPAC3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOC1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)22-13-29-23(27)26(22)18-8-11-20-21(12-18)25-14-24-20/h2-5,8,11-12,14,16,19,22H,6-7,9-10,13H2,1H3,(H,24,25)
InChIKeyVPEVIWZMPRBZME-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.93
Rot. Bonds4

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

3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 58229027) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID58229027
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
SMILESCOC1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1
InChIInChI=1S/C23H25N3O3/c1-28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)22-13-29-23(27)26(22)18-8-11-20-21(12-18)25-14-24-20/h2-5,8,11-12,14,16,19,22H,6-7,9-10,13H2,1H3,(H,24,25)
InChIKeyVPEVIWZMPRBZME-UHFFFAOYSA-N
XLogP4.93
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one (CID 58229027) is 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is COC1CCC(c2ccc(C3COC(=O)N3c3ccc4nc[nH]c4c3)cc2)CC1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is VPEVIWZMPRBZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-19-9-6-16(7-10-19)15-2-4-17(5-3-15)22-13-29-23(27)26(22)18-8-11-20-21(12-18)25-14-24-20/h2-5,8,11-12,14,16,19,22H,6-7,9-10,13H2,1H3,(H,24,25).
What are the key properties of 3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-4-[4-(4-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 391.47 g/mol, XLogP of 4.93, 4 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-methoxycyclohexyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58229027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).