2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide

C12H16N4O3S — CID 61367440

IUPAC2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H16N4O3S/c1-7(11(17)16(2)3)20(18,19)12-14-9-5-4-8(13)6-10(9)15-12/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyURZSCBFEWRFKNI-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.40
Rot. Bonds3

About 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide

2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide (PubChem CID 61367440) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
PubChem CID61367440
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC Name2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H16N4O3S/c1-7(11(17)16(2)3)20(18,19)12-14-9-5-4-8(13)6-10(9)15-12/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyURZSCBFEWRFKNI-UHFFFAOYSA-N
XLogP0.40
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide (CID 61367440) is 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)S(=O)(=O)c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide?
The InChIKey is URZSCBFEWRFKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-7(11(17)16(2)3)20(18,19)12-14-9-5-4-8(13)6-10(9)15-12/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide?
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide has a molecular weight of 296.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 61367440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).