2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C21H24N4O2S — CID 51254645

IUPAC2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c1-28-15-20-22-17-7-3-5-9-19(17)25(20)14-21(26)23-16-6-2-4-8-18(16)24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyHFJGPDLCSRKAAG-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.37
Rot. Bonds6

About 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 51254645) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID51254645
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H24N4O2S/c1-28-15-20-22-17-7-3-5-9-19(17)25(20)14-21(26)23-16-6-2-4-8-18(16)24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,23,26)
InChIKeyHFJGPDLCSRKAAG-UHFFFAOYSA-N
XLogP3.37
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30889458
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 24514213
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 37153190
N-(2-chloro-4-methylphenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 18097747
methyl N-[4-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]phenyl]carbamate
CID 55806037
N-(4-anilinophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 55457213
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47016427
N-(5-chloro-2-pyridinyl)-2-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 52867431
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26880814

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 51254645) is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is CSCc1nc2ccccc2n1CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is HFJGPDLCSRKAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-28-15-20-22-17-7-3-5-9-19(17)25(20)14-21(26)23-16-6-2-4-8-18(16)24-10-12-27-13-11-24/h2-9H,10-15H2,1H3,(H,23,26).
What are the key properties of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 396.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 51254645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).