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

C13H13N3O2S — CID 18099720

IUPAC5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2nc(SCc3cc(C)no3)[nH]c2c1
InChIInChI=1S/C13H13N3O2S/c1-8-5-10(18-16-8)7-19-13-14-11-4-3-9(17-2)6-12(11)15-13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLRNWMGRKUQNQDC-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.16
Rot. Bonds4

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

5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole (PubChem CID 18099720) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
PubChem CID18099720
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc2nc(SCc3cc(C)no3)[nH]c2c1
InChIInChI=1S/C13H13N3O2S/c1-8-5-10(18-16-8)7-19-13-14-11-4-3-9(17-2)6-12(11)15-13/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLRNWMGRKUQNQDC-UHFFFAOYSA-N
XLogP3.16
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole (CID 18099720) is 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole is COc1ccc2nc(SCc3cc(C)no3)[nH]c2c1.
What is the InChIKey of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is LRNWMGRKUQNQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-8-5-10(18-16-8)7-19-13-14-11-4-3-9(17-2)6-12(11)15-13/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole?
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 275.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 18099720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).