2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide

C13H18N4O2S — CID 61367686

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-3-17(4-2)12(18)8-20(19)13-15-10-6-5-9(14)7-11(10)16-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyHTXBNXZTBUURPB-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.12
Rot. Bonds5

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide (PubChem CID 61367686) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
PubChem CID61367686
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CS(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C13H18N4O2S/c1-3-17(4-2)12(18)8-20(19)13-15-10-6-5-9(14)7-11(10)16-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyHTXBNXZTBUURPB-UHFFFAOYSA-N
XLogP1.12
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-dimethylbutylsulfinyl)-3H-benzimidazol-5-amine
CID 54958098
3-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-methylpropanamide
CID 62326631
2-[(2-methyltetrazol-5-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 107052253
2-[(1-methylpyrazol-3-yl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 82877295
2-(cyclobutylmethylsulfinyl)-3H-benzimidazol-5-amine
CID 65457696
2-[(6-methyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 79260541
2-[(2-bromophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 61367877
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
CID 61366940
2-[(6-amino-1H-benzimidazol-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43588107
2-[2-(6-amino-1H-benzimidazol-2-yl)ethylsulfinyl]acetamide
CID 114231833
2-[(2-chloro-5-fluorophenyl)methylsulfinyl]-3H-benzimidazol-5-amine
CID 102619650
1-(6-amino-1H-benzimidazol-2-yl)ethanone
CID 83428502

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide (CID 61367686) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide is CCN(CC)C(=O)CS(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide?
The InChIKey is HTXBNXZTBUURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-17(4-2)12(18)8-20(19)13-15-10-6-5-9(14)7-11(10)16-13/h5-7H,3-4,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide has a molecular weight of 294.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N,N-diethylacetamide is sourced from PubChem (CID 61367686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).