2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide

C20H20ClN3O2S — CID 51728102

IUPAC2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cc(SC)ccc1Cl)c1nccn1C
InChIInChI=1S/C20H20ClN3O2S/c1-24-11-10-22-19(24)18(14-6-4-5-7-17(14)26-2)23-20(25)15-12-13(27-3)8-9-16(15)21/h4-12,18H,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyRAYHHUSYJLQBIM-SFHVURJKSA-N
MW401.92 g/mol
LogP4.32
Rot. Bonds6

About 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide

2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide (PubChem CID 51728102) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
PubChem CID51728102
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cc(SC)ccc1Cl)c1nccn1C
InChIInChI=1S/C20H20ClN3O2S/c1-24-11-10-22-19(24)18(14-6-4-5-7-17(14)26-2)23-20(25)15-12-13(27-3)8-9-16(15)21/h4-12,18H,1-3H3,(H,23,25)/t18-/m0/s1
InChIKeyRAYHHUSYJLQBIM-SFHVURJKSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55492162
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 51269487
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25348091
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 47014744
1-benzyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]indole-3-carboxamide
CID 24660627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide (CID 51728102) is 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide is COc1ccccc1[C@H](NC(=O)c1cc(SC)ccc1Cl)c1nccn1C.
What is the InChIKey of 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide?
The InChIKey is RAYHHUSYJLQBIM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c1-24-11-10-22-19(24)18(14-6-4-5-7-17(14)26-2)23-20(25)15-12-13(27-3)8-9-16(15)21/h4-12,18H,1-3H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide has a molecular weight of 401.92 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 51728102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).