3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole

C20H19N3OS — CID 43034146

IUPAC3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nc3ccccc3n2CCc2ccccc2)on1
InChIInChI=1S/C20H19N3OS/c1-15-13-17(24-22-15)14-25-20-21-18-9-5-6-10-19(18)23(20)12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3
InChIKeyUDCDSYQRIJBXCD-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.87
Rot. Bonds6

About 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole

3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 43034146) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID43034146
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nc3ccccc3n2CCc2ccccc2)on1
InChIInChI=1S/C20H19N3OS/c1-15-13-17(24-22-15)14-25-20-21-18-9-5-6-10-19(18)23(20)12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3
InChIKeyUDCDSYQRIJBXCD-UHFFFAOYSA-N
XLogP4.87
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole (CID 43034146) is 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2nc3ccccc3n2CCc2ccccc2)on1.
What is the InChIKey of 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is UDCDSYQRIJBXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-15-13-17(24-22-15)14-25-20-21-18-9-5-6-10-19(18)23(20)12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole?
3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 349.46 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 43034146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).