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

C19H21N3OS — CID 8714374

IUPAC2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C19H21N3OS/c1-12-8-9-15(13(2)10-12)20-18(23)11-24-14(3)19-21-16-6-4-5-7-17(16)22-19/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyMLECGRCHLYVQRE-CQSZACIVSA-N
MW339.46 g/mol
LogP4.61
Rot. Bonds5

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

2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide (PubChem CID 8714374) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
PubChem CID8714374
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C19H21N3OS/c1-12-8-9-15(13(2)10-12)20-18(23)11-24-14(3)19-21-16-6-4-5-7-17(16)22-19/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1
InChIKeyMLECGRCHLYVQRE-CQSZACIVSA-N
XLogP4.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 8780199
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
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-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439314
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(3-bromophenyl)acetamide
CID 8713855
2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 112794659
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
2-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 8780620
N-[3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]phenyl]pyridine-4-carboxamide
CID 78861186
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
N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119522351

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide (CID 8714374) is 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CS[C@H](C)c2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is MLECGRCHLYVQRE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-12-8-9-15(13(2)10-12)20-18(23)11-24-14(3)19-21-16-6-4-5-7-17(16)22-19/h4-10,14H,11H2,1-3H3,(H,20,23)(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide?
2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanyl-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 339.46 g/mol, XLogP of 4.61, 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 8714374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).