N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide

C18H15Cl2N3O2S — CID 4232174

IUPACN-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-25-16-7-4-13(20)10-15(16)22-17(24)11-26-18-21-8-9-23(18)14-5-2-12(19)3-6-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyBMIBDGWMQAQBLX-UHFFFAOYSA-N
MW408.31 g/mol
LogP4.92
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4232174) has the molecular formula C18H15Cl2N3O2S and a molecular weight of 408.31 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4232174
Molecular FormulaC18H15Cl2N3O2S
Molecular Weight408.31 g/mol
Exact Mass407.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2S/c1-25-16-7-4-13(20)10-15(16)22-17(24)11-26-18-21-8-9-23(18)14-5-2-12(19)3-6-14/h2-10H,11H2,1H3,(H,22,24)
InChIKeyBMIBDGWMQAQBLX-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3636346
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998
2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 3674449
N-(5-chloro-2-methoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyrimidin-3-ylsulfanyl)acetamide
CID 43816419
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 35540790
N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6469139
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40791526
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
CID 41424799
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
CID 43040259
N-(5-chloro-2-methoxyphenyl)-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1457504
N-(4-chloro-2,5-dimethoxyphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41473059
N-(5-chloro-2-methoxyphenyl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1143270

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide (CID 4232174) is N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is BMIBDGWMQAQBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2S/c1-25-16-7-4-13(20)10-15(16)22-17(24)11-26-18-21-8-9-23(18)14-5-2-12(19)3-6-14/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 408.31 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4232174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).