7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione

C14H15N3O2S — CID 106389024

IUPAC7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCOc1cccc2c1[nH]c(=S)n2C(C)c1ncc(C)o1
InChIInChI=1S/C14H15N3O2S/c1-8-7-15-13(19-8)9(2)17-10-5-4-6-11(18-3)12(10)16-14(17)20/h4-7,9H,1-3H3,(H,16,20)
InChIKeyYYPKLMUKFGHRED-UHFFFAOYSA-N
MW289.36 g/mol
LogP3.61
Rot. Bonds3

About 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione

7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione (PubChem CID 106389024) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
PubChem CID106389024
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
SMILESCOc1cccc2c1[nH]c(=S)n2C(C)c1ncc(C)o1
InChIInChI=1S/C14H15N3O2S/c1-8-7-15-13(19-8)9(2)17-10-5-4-6-11(18-3)12(10)16-14(17)20/h4-7,9H,1-3H3,(H,16,20)
InChIKeyYYPKLMUKFGHRED-UHFFFAOYSA-N
XLogP3.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 106389027
3-[(5-methyl-1,3-oxazol-2-yl)methyl]-7-propan-2-yloxy-1H-benzimidazole-2-thione
CID 106374780
6-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106389035
4-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 106389871
7-chloro-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 104836632
7-fluoro-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 60790254
3-(3,3-dimethylbutan-2-yl)-7-ethoxy-1H-benzimidazole-2-thione
CID 104828957
7-methoxy-3-(1,2-oxazol-5-ylmethyl)-1H-benzimidazole-2-thione
CID 106419496
3-(4-bromo-3,5-dimethylphenyl)-7-methoxy-1H-benzimidazole-2-thione
CID 107575784
N-[(2-methoxyphenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 103893432
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-7-fluoro-1H-benzimidazole-2-thione
CID 79242526
3-(2-cyclopropylpropan-2-yl)-7-methoxy-1H-benzimidazole-2-thione
CID 114111629

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione?
The IUPAC name of 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione (CID 106389024) is 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione.
What is the SMILES notation for 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione?
The canonical SMILES for 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione is COc1cccc2c1[nH]c(=S)n2C(C)c1ncc(C)o1.
What is the InChIKey of 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione?
The InChIKey is YYPKLMUKFGHRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-8-7-15-13(19-8)9(2)17-10-5-4-6-11(18-3)12(10)16-14(17)20/h4-7,9H,1-3H3,(H,16,20).
What are the key properties of 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione?
7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione has a molecular weight of 289.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione is sourced from PubChem (CID 106389024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).