5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C18H16N4O2S — CID 10020896

IUPAC5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CSc3nc4ccc(C)cc4[nH]3)no2)c1
InChIInChI=1S/C18H16N4O2S/c1-11-6-7-14-15(8-11)20-18(19-14)25-10-16-21-17(24-22-16)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYDNAGSOASDHUHD-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.22
Rot. Bonds5

About 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 10020896) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID10020896
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(CSc3nc4ccc(C)cc4[nH]3)no2)c1
InChIInChI=1S/C18H16N4O2S/c1-11-6-7-14-15(8-11)20-18(19-14)25-10-16-21-17(24-22-16)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,20)
InChIKeyYDNAGSOASDHUHD-UHFFFAOYSA-N
XLogP4.22
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1H-imidazo[4,5-b]pyridin-2-ylsulfanylmethyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 10449854
3-(1H-benzimidazol-2-ylsulfanylmethyl)-5-(3-bromophenyl)-1,2,4-oxadiazole
CID 10407861
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2-oxazole
CID 17440411
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3-methyl-1,2-oxazole
CID 18099720
2-(4-methoxyphenyl)-5-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 46435511
6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 3343828
3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-7-methyl-1H-quinolin-2-one
CID 945708
2-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079231
3-(2,6-dimethoxyphenyl)-5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9430026
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 62875100

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 10020896) is 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is COc1cccc(-c2nc(CSc3nc4ccc(C)cc4[nH]3)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is YDNAGSOASDHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-11-6-7-14-15(8-11)20-18(19-14)25-10-16-21-17(24-22-16)12-4-3-5-13(9-12)23-2/h3-9H,10H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 352.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 10020896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).