2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C23H24ClN3O3S — CID 15990533

IUPAC2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NCC3CCCO3)c(-c3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C23H24ClN3O3S/c1-29-18-5-2-4-16(12-18)22-26-21(15-7-9-17(24)10-8-15)23(27-22)31-14-20(28)25-13-19-6-3-11-30-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyCQZWKROOQPZBJQ-UHFFFAOYSA-N
MW457.98 g/mol
LogP4.79
Rot. Bonds8

About 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 15990533) has the molecular formula C23H24ClN3O3S and a molecular weight of 457.98 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID15990533
Molecular FormulaC23H24ClN3O3S
Molecular Weight457.98 g/mol
Exact Mass457.12
IUPAC Name2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCOc1cccc(-c2nc(SCC(=O)NCC3CCCO3)c(-c3ccc(Cl)cc3)[nH]2)c1
InChIInChI=1S/C23H24ClN3O3S/c1-29-18-5-2-4-16(12-18)22-26-21(15-7-9-17(24)10-8-15)23(27-22)31-14-20(28)25-13-19-6-3-11-30-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,25,28)(H,26,27)
InChIKeyCQZWKROOQPZBJQ-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

Analyze 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 15990533) is 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is COc1cccc(-c2nc(SCC(=O)NCC3CCCO3)c(-c3ccc(Cl)cc3)[nH]2)c1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is CQZWKROOQPZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S/c1-29-18-5-2-4-16(12-18)22-26-21(15-7-9-17(24)10-8-15)23(27-22)31-14-20(28)25-13-19-6-3-11-30-19/h2,4-5,7-10,12,19H,3,6,11,13-14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[[5-(4-chlorophenyl)-2-(3-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-[[5-(4-chlorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 15990533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).