N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide

C22H26ClN3OS — CID 7173108

IUPACN-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H26ClN3OS/c1-2-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)28-16-21(27)24-15-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,24,27)
InChIKeyFFQZYSBNSPJQOP-UHFFFAOYSA-N
MW415.99 g/mol
LogP5.68
Rot. Bonds10

About N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 7173108) has the molecular formula C22H26ClN3OS and a molecular weight of 415.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID7173108
Molecular FormulaC22H26ClN3OS
Molecular Weight415.99 g/mol
Exact Mass415.15
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C22H26ClN3OS/c1-2-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)28-16-21(27)24-15-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,24,27)
InChIKeyFFQZYSBNSPJQOP-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.99
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
N-benzyl-2-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 46347404
N-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 3687181
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
4-[[[2-[2-[2-[(4-carboxyphenyl)methylamino]-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetyl]amino]methyl]benzoic acid
CID 4280142
N-[(4-chlorophenyl)methyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2705274
2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7173080
2-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide (CID 7173108) is N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide is CCCCCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is FFQZYSBNSPJQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3OS/c1-2-3-4-7-14-26-20-9-6-5-8-19(20)25-22(26)28-16-21(27)24-15-17-10-12-18(23)13-11-17/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 415.99 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 7173108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).