4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole

C17H13N3OS — CID 31710146

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)co2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-6-12(7-3-1)16-18-13(10-21-16)11-22-17-19-14-8-4-5-9-15(14)20-17/h1-10H,11H2,(H,19,20)
InChIKeyRUJHTXHHLFXQBJ-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.51
Rot. Bonds4

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole

4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole (PubChem CID 31710146) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
PubChem CID31710146
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ccccc4[nH]3)co2)cc1
InChIInChI=1S/C17H13N3OS/c1-2-6-12(7-3-1)16-18-13(10-21-16)11-22-17-19-14-8-4-5-9-15(14)20-17/h1-10H,11H2,(H,19,20)
InChIKeyRUJHTXHHLFXQBJ-UHFFFAOYSA-N
XLogP4.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]phenol
CID 135923343
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 35431011
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(3-bromophenyl)-1,2,4-oxadiazole
CID 10407861
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 94717593
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
(2S)-2-amino-3-[6-(1H-benzimidazol-2-ylsulfanylmethyl)-2-pyridinyl]propanoic acid
CID 58678286

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole (CID 31710146) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole is c1ccc(-c2nc(CSc3nc4ccccc4[nH]3)co2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
The InChIKey is RUJHTXHHLFXQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-2-6-12(7-3-1)16-18-13(10-21-16)11-22-17-19-14-8-4-5-9-15(14)20-17/h1-10H,11H2,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole has a molecular weight of 307.38 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 31710146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).