2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole

C18H17N3O2S — CID 8834967

IUPAC2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole
SMILESCOCCn1c(SCc2nc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-22-11-10-21-15-8-4-2-6-13(15)20-18(21)24-12-17-19-14-7-3-5-9-16(14)23-17/h2-9H,10-12H2,1H3
InChIKeyKVLTZGXLPZTZFY-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.12
Rot. Bonds6

About 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole

2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole (PubChem CID 8834967) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole
PubChem CID8834967
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole
SMILESCOCCn1c(SCc2nc3ccccc3o2)nc2ccccc21
InChIInChI=1S/C18H17N3O2S/c1-22-11-10-21-15-8-4-2-6-13(15)20-18(21)24-12-17-19-14-7-3-5-9-16(14)23-17/h2-9H,10-12H2,1H3
InChIKeyKVLTZGXLPZTZFY-UHFFFAOYSA-N
XLogP4.12
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole?
The IUPAC name of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole (CID 8834967) is 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole is COCCn1c(SCc2nc3ccccc3o2)nc2ccccc21.
What is the InChIKey of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole?
The InChIKey is KVLTZGXLPZTZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-22-11-10-21-15-8-4-2-6-13(15)20-18(21)24-12-17-19-14-7-3-5-9-16(14)23-17/h2-9H,10-12H2,1H3.
What are the key properties of 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole?
2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole has a molecular weight of 339.42 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]-1,3-benzoxazole is sourced from PubChem (CID 8834967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).