2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride

C18H19ClN3OS- — CID 21179427

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
SMILESCC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H19N3OS.ClH/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-23-18-19-15-10-6-7-11-16(15)20-18;/h3-11,13H,12H2,1-2H3,(H,19,20);1H/p-1
InChIKeyTYXDDEHSVBXWOW-UHFFFAOYSA-M
MW360.89 g/mol
LogP1.10
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride

2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride (PubChem CID 21179427) has the molecular formula C18H19ClN3OS- and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
PubChem CID21179427
Molecular FormulaC18H19ClN3OS-
Molecular Weight360.89 g/mol
Exact Mass360.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
SMILESCC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1.[Cl-]
InChIInChI=1S/C18H19N3OS.ClH/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-23-18-19-15-10-6-7-11-16(15)20-18;/h3-11,13H,12H2,1-2H3,(H,19,20);1H/p-1
InChIKeyTYXDDEHSVBXWOW-UHFFFAOYSA-M
XLogP1.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-propan-2-yl-2-[(6-sulfamoyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2366378
2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7624644
2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 2360952
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 135524967
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
N-phenyl-N-propan-2-yl-2-quinazolin-4-ylsulfanylacetamide
CID 2371257
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18194956
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7374599
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-butan-2-yl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 122714449

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride (CID 21179427) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride is CC(C)N(C(=O)CSc1nc2ccccc2[nH]1)c1ccccc1.[Cl-].
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride?
The InChIKey is TYXDDEHSVBXWOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19N3OS.ClH/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-23-18-19-15-10-6-7-11-16(15)20-18;/h3-11,13H,12H2,1-2H3,(H,19,20);1H/p-1.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride?
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride has a molecular weight of 360.89 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride is sourced from PubChem (CID 21179427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).