2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide

C11H14N4O2S — CID 114231833

IUPAC2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
SMILESNC(=O)CS(=O)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H14N4O2S/c12-7-1-2-8-9(5-7)15-11(14-8)3-4-18(17)6-10(13)16/h1-2,5H,3-4,6,12H2,(H2,13,16)(H,14,15)
InChIKeyXCMLQPZKAQDMTD-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.08
Rot. Bonds5

About 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide

2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide (PubChem CID 114231833) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide.

Molecular Properties

Compound Name2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
PubChem CID114231833
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
SMILESNC(=O)CS(=O)CCc1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C11H14N4O2S/c12-7-1-2-8-9(5-7)15-11(14-8)3-4-18(17)6-10(13)16/h1-2,5H,3-4,6,12H2,(H2,13,16)(H,14,15)
InChIKeyXCMLQPZKAQDMTD-UHFFFAOYSA-N
XLogP-0.08
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methylbutylsulfinyl)ethyl]-3H-benzimidazol-5-amine
CID 107753815
2-[2-(6-amino-1H-benzimidazol-2-yl)ethyl-ethylamino]acetamide
CID 103101302
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
4-(6-amino-1H-benzimidazol-2-yl)butan-2-ol;dihydrochloride
CID 45156250
2-butyl-3H-benzimidazol-5-amine
CID 23301932
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(2-ethoxyethyl)-3H-benzimidazol-5-amine
CID 62589728
2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-amine
CID 4080442
2-[2-[ethyl(propan-2-yl)amino]ethyl]-3H-benzimidazol-5-amine
CID 43513808
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
CID 61367686
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43588107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide?
The IUPAC name of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide (CID 114231833) is 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide.
What is the SMILES notation for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide?
The canonical SMILES for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide is NC(=O)CS(=O)CCc1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide?
The InChIKey is XCMLQPZKAQDMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-7-1-2-8-9(5-7)15-11(14-8)3-4-18(17)6-10(13)16/h1-2,5H,3-4,6,12H2,(H2,13,16)(H,14,15).
What are the key properties of 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide?
2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide has a molecular weight of 266.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide is sourced from PubChem (CID 114231833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).