N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide

C13H20N4O2S — CID 110760105

IUPACN-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCCN(C)C)cc2[nH]1
InChIInChI=1S/C13H20N4O2S/c1-10-15-12-6-5-11(9-13(12)16-10)20(18,19)14-7-4-8-17(2)3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyZHOFUIJLUSCXRO-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.10
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide

N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760105) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
PubChem CID110760105
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCCN(C)C)cc2[nH]1
InChIInChI=1S/C13H20N4O2S/c1-10-15-12-6-5-11(9-13(12)16-10)20(18,19)14-7-4-8-17(2)3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyZHOFUIJLUSCXRO-UHFFFAOYSA-N
XLogP1.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
2-amino-N-[3-(dimethylamino)propyl]pyridine-4-sulfonamide
CID 62145237
N-[3-(dimethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 5176418
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760177
3-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzenesulfonamide
CID 110785691
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide (CID 110760105) is N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)NCCCN(C)C)cc2[nH]1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is ZHOFUIJLUSCXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-10-15-12-6-5-11(9-13(12)16-10)20(18,19)14-7-4-8-17(2)3/h5-6,9,14H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).