3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

C19H17N3OS — CID 5174129

IUPAC3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3OS/c1-13-16(14(2)23-21-13)12-24-19-20-17-10-6-7-11-18(17)22(19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyFFIMBUHZURTHTK-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.92
Rot. Bonds4

About 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole

3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (PubChem CID 5174129) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
PubChem CID5174129
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H17N3OS/c1-13-16(14(2)23-21-13)12-24-19-20-17-10-6-7-11-18(17)22(19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeyFFIMBUHZURTHTK-UHFFFAOYSA-N
XLogP4.92
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole (CID 5174129) is 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is Cc1noc(C)c1CSc1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
The InChIKey is FFIMBUHZURTHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-16(14(2)23-21-13)12-24-19-20-17-10-6-7-11-18(17)22(19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole?
3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole has a molecular weight of 335.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1-phenylbenzimidazol-2-yl)sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 5174129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).