N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

C19H18ClN3O2S — CID 86950261

IUPACN-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1cccc(-n2ccnc2SC)c1
InChIInChI=1S/C19H18ClN3O2S/c1-22(16-12-14(20)7-8-17(16)25-2)18(24)13-5-4-6-15(11-13)23-10-9-21-19(23)26-3/h4-12H,1-3H3
InChIKeyCJDXPQBUNMBYPB-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.53
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide

N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 86950261) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID86950261
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1cccc(-n2ccnc2SC)c1
InChIInChI=1S/C19H18ClN3O2S/c1-22(16-12-14(20)7-8-17(16)25-2)18(24)13-5-4-6-15(11-13)23-10-9-21-19(23)26-3/h4-12H,1-3H3
InChIKeyCJDXPQBUNMBYPB-UHFFFAOYSA-N
XLogP4.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide (CID 86950261) is N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is COc1ccc(Cl)cc1N(C)C(=O)c1cccc(-n2ccnc2SC)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is CJDXPQBUNMBYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-22(16-12-14(20)7-8-17(16)25-2)18(24)13-5-4-6-15(11-13)23-10-9-21-19(23)26-3/h4-12H,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide?
N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 387.89 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 86950261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).