2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

C20H20ClN3O3S — CID 7151072

IUPAC2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClN3O3S/c1-26-17-8-7-16(11-18(17)27-2)23-19(25)13-28-20-22-9-10-24(20)12-14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyQHNTXRBWUAXLML-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.33
Rot. Bonds8

About 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide

2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 7151072) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID7151072
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC Name2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C20H20ClN3O3S/c1-26-17-8-7-16(11-18(17)27-2)23-19(25)13-28-20-22-9-10-24(20)12-14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25)
InChIKeyQHNTXRBWUAXLML-UHFFFAOYSA-N
XLogP4.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22583676
N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
2-(4-chlorophenyl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 38628569
2-[6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 15988555
N-(4-acetamidophenyl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 26816811
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4232174
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 22585512
1-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 20951376
N-(3,4-dimethoxyphenyl)-2-[1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 22576329
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246
N-(1,3-benzodioxol-5-yl)-2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide (CID 7151072) is 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nccn2Cc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QHNTXRBWUAXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-26-17-8-7-16(11-18(17)27-2)23-19(25)13-28-20-22-9-10-24(20)12-14-3-5-15(21)6-4-14/h3-11H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide?
2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 417.92 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 7151072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).