5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

C18H16N4OS — CID 2927293

IUPAC5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21
InChIInChI=1S/C18H16N4OS/c1-2-22-15-11-7-6-10-14(15)19-18(22)24-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyJCHHKUIOTDVMQD-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.40
Rot. Bonds5

About 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole

5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2927293) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2927293
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21
InChIInChI=1S/C18H16N4OS/c1-2-22-15-11-7-6-10-14(15)19-18(22)24-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyJCHHKUIOTDVMQD-UHFFFAOYSA-N
XLogP4.40
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole (CID 2927293) is 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21.
What is the InChIKey of 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is JCHHKUIOTDVMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-2-22-15-11-7-6-10-14(15)19-18(22)24-12-16-20-17(21-23-16)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole?
5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 336.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2927293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).