N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

C20H22ClN3O2S — CID 46618093

IUPACN-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(SC(C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2S/c1-13-8-9-15(21)12-17(13)22-19(25)14(2)27-20-23-16-6-4-5-7-18(16)24(20)10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25)
InChIKeyBOFMKCYCYIXGTL-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.76
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 46618093) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID46618093
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(SC(C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2S/c1-13-8-9-15(21)12-17(13)22-19(25)14(2)27-20-23-16-6-4-5-7-18(16)24(20)10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25)
InChIKeyBOFMKCYCYIXGTL-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25352035
N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4882317
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224530
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51236228
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 40926731
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25351950
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262745
N-(5-chloro-2-methylphenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
CID 23743281
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262748
(2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 25330741
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 46618093) is N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is COCCn1c(SC(C)C(=O)Nc2cc(Cl)ccc2C)nc2ccccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is BOFMKCYCYIXGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-13-8-9-15(21)12-17(13)22-19(25)14(2)27-20-23-16-6-4-5-7-18(16)24(20)10-11-26-3/h4-9,12,14H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 403.94 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 46618093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).