2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide

C18H18ClN3OS — CID 8780199

IUPAC2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18ClN3OS/c1-11-9-13(19)7-8-14(11)20-17(23)10-24-12(2)18-21-15-5-3-4-6-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyRVZUQGICUHGDDV-GFCCVEGCSA-N
MW359.88 g/mol
LogP4.96
Rot. Bonds5

About 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide

2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 8780199) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID8780199
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18ClN3OS/c1-11-9-13(19)7-8-14(11)20-17(23)10-24-12(2)18-21-15-5-3-4-6-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyRVZUQGICUHGDDV-GFCCVEGCSA-N
XLogP4.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 8714374
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 78776040
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3-bromophenyl)acetamide
CID 8713855
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439314
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 8780620
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 112794659
N-[3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]phenyl]pyridine-4-carboxamide
CID 78861186
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 40809516
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-ethylacetamide
CID 78815916
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 9260769

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide (CID 8780199) is 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is RVZUQGICUHGDDV-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-11-9-13(19)7-8-14(11)20-17(23)10-24-12(2)18-21-15-5-3-4-6-16(15)22-18/h3-9,12H,10H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide?
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 359.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 8780199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).