3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one

C18H17N3O2 — CID 67036550

IUPAC3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(2)16(12-6-4-3-5-7-12)21(17(22)23-18)13-8-9-14-15(10-13)20-11-19-14/h3-11,16H,1-2H3,(H,19,20)
InChIKeyBHFAKXZGAQRIPX-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.04
Rot. Bonds2

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

3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 67036550) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID67036550
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-18(2)16(12-6-4-3-5-7-12)21(17(22)23-18)13-8-9-14-15(10-13)20-11-19-14/h3-11,16H,1-2H3,(H,19,20)
InChIKeyBHFAKXZGAQRIPX-UHFFFAOYSA-N
XLogP4.04
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one (CID 67036550) is 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccc3nc[nH]c3c2)C1c1ccccc1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BHFAKXZGAQRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-18(2)16(12-6-4-3-5-7-12)21(17(22)23-18)13-8-9-14-15(10-13)20-11-19-14/h3-11,16H,1-2H3,(H,19,20).
What are the key properties of 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one?
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67036550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).