3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one

C18H14ClN3O2S — CID 33295585

IUPAC3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-5-7-14(8-6-13)21-10-9-20-17(21)25-12-11-22-15-3-1-2-4-16(15)24-18(22)23/h1-10H,11-12H2
InChIKeyYCPWHMQXPSKTJG-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.23
Rot. Bonds5

About 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one

3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one (PubChem CID 33295585) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one
PubChem CID33295585
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O2S/c19-13-5-7-14(8-6-13)21-10-9-20-17(21)25-12-11-22-15-3-1-2-4-16(15)24-18(22)23/h1-10H,11-12H2
InChIKeyYCPWHMQXPSKTJG-UHFFFAOYSA-N
XLogP4.23
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one (CID 33295585) is 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCSc1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one?
The InChIKey is YCPWHMQXPSKTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c19-13-5-7-14(8-6-13)21-10-9-20-17(21)25-12-11-22-15-3-1-2-4-16(15)24-18(22)23/h1-10H,11-12H2.
What are the key properties of 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one?
3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one has a molecular weight of 371.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 33295585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).