N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C18H16ClN3O2S — CID 4087783

IUPACN-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-8-6-15(7-9-16)22-11-10-20-18(22)25-12-17(23)21-14-4-2-13(19)3-5-14/h2-11H,12H2,1H3,(H,21,23)
InChIKeyBPOUKMVNPVMKRF-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.27
Rot. Bonds6

About N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4087783) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4087783
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC NameN-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-8-6-15(7-9-16)22-11-10-20-18(22)25-12-17(23)21-14-4-2-13(19)3-5-14/h2-11H,12H2,1H3,(H,21,23)
InChIKeyBPOUKMVNPVMKRF-UHFFFAOYSA-N
XLogP4.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 4087783) is N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is BPOUKMVNPVMKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-16-8-6-15(7-9-16)22-11-10-20-18(22)25-12-17(23)21-14-4-2-13(19)3-5-14/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4087783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).