5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole

C18H15N3OS — CID 17440411

IUPAC5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
SMILESCc1ccc2nc(SCc3cc(-c4ccccc4)no3)[nH]c2c1
InChIInChI=1S/C18H15N3OS/c1-12-7-8-15-17(9-12)20-18(19-15)23-11-14-10-16(21-22-14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyXHRIVQQJPMREPY-UHFFFAOYSA-N
MW321.40 g/mol
LogP4.82
Rot. Bonds4

About 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole

5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole (PubChem CID 17440411) has the molecular formula C18H15N3OS and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
PubChem CID17440411
Molecular FormulaC18H15N3OS
Molecular Weight321.40 g/mol
Exact Mass321.09
IUPAC Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
SMILESCc1ccc2nc(SCc3cc(-c4ccccc4)no3)[nH]c2c1
InChIInChI=1S/C18H15N3OS/c1-12-7-8-15-17(9-12)20-18(19-15)23-11-14-10-16(21-22-14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyXHRIVQQJPMREPY-UHFFFAOYSA-N
XLogP4.82
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole (CID 17440411) is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole is Cc1ccc2nc(SCc3cc(-c4ccccc4)no3)[nH]c2c1.
What is the InChIKey of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
The InChIKey is XHRIVQQJPMREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-7-8-15-17(9-12)20-18(19-15)23-11-14-10-16(21-22-14)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole?
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole has a molecular weight of 321.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 17440411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).