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

C12H18N4O2S — CID 110760103

IUPACN-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCN(C)C)cc2[nH]1
InChIInChI=1S/C12H18N4O2S/c1-9-14-11-5-4-10(8-12(11)15-9)19(17,18)13-6-7-16(2)3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyHXIGUKMIVHTIDP-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.71
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760103) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
PubChem CID110760103
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)NCCN(C)C)cc2[nH]1
InChIInChI=1S/C12H18N4O2S/c1-9-14-11-5-4-10(8-12(11)15-9)19(17,18)13-6-7-16(2)3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15)
InChIKeyHXIGUKMIVHTIDP-UHFFFAOYSA-N
XLogP0.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760105
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
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
2-[(2-methyl-3H-benzimidazol-5-yl)sulfonyl]ethanol
CID 116852802
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
N-butyl-2-methylsulfonyl-3H-benzimidazole-5-sulfonamide
CID 123698941
N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
3-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 115328557

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide (CID 110760103) is N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)NCCN(C)C)cc2[nH]1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is HXIGUKMIVHTIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-9-14-11-5-4-10(8-12(11)15-9)19(17,18)13-6-7-16(2)3/h4-5,8,13H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide?
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).