2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

C14H19N3OS — CID 84601695

IUPAC2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(N)=O)nc2ccccc21
InChIInChI=1S/C14H19N3OS/c1-2-3-6-9-17-12-8-5-4-7-11(12)16-14(17)19-10-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18)
InChIKeyKZHQKDXJTILGMZ-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.80
Rot. Bonds7

About 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide

2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 84601695) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound Name2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID84601695
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCCCn1c(SCC(N)=O)nc2ccccc21
InChIInChI=1S/C14H19N3OS/c1-2-3-6-9-17-12-8-5-4-7-11(12)16-14(17)19-10-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18)
InChIKeyKZHQKDXJTILGMZ-UHFFFAOYSA-N
XLogP2.80
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.80
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

2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(4-methylphenyl)ethanone;hydrobromide
CID 163332838
2-benzylsulfanyl-1-heptylbenzimidazole;hydrobromide
CID 2851940
1-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]piperidine-2-carboxamide
CID 43032851
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 3124397
N-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide
CID 3687181
1-[2-(1-pentylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 4692366
[(2R)-1-amino-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133772

Frequently Asked Questions

What is the IUPAC name of 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide (CID 84601695) is 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is CCCCCn1c(SCC(N)=O)nc2ccccc21.
What is the InChIKey of 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is KZHQKDXJTILGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-3-6-9-17-12-8-5-4-7-11(12)16-14(17)19-10-13(15)18/h4-5,7-8H,2-3,6,9-10H2,1H3,(H2,15,18).
What are the key properties of 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide?
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 84601695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).