2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C23H24ClN3O3S — CID 6359367

IUPAC2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-29-18-10-6-15(7-11-18)21-23(27-22(26-21)16-4-8-17(24)9-5-16)31-14-20(28)25-13-19-3-2-12-30-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyAWFJVVIOWBLACB-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.79
Rot. Bonds8

About 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 6359367) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID6359367
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCC2CCCO2)cc1
InChIInChI=1S/C23H24ClN3O3S/c1-29-18-10-6-15(7-11-18)21-23(27-22(26-21)16-4-8-17(24)9-5-16)31-14-20(28)25-13-19-3-2-12-30-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyAWFJVVIOWBLACB-UHFFFAOYSA-N
XLogP4.79
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.98
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 6359367) is 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)NCC2CCCO2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AWFJVVIOWBLACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-29-18-10-6-15(7-11-18)21-23(27-22(26-21)16-4-8-17(24)9-5-16)31-14-20(28)25-13-19-3-2-12-30-19/h4-11,19H,2-3,12-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 457.98 g/mol, XLogP of 4.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 6359367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).