N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

C13H15N5O2S — CID 63563710

IUPACN-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)nc1C
InChIInChI=1S/C13H15N5O2S/c1-3-18-8-12(14-9(18)2)21(19,20)17-13-15-10-6-4-5-7-11(10)16-13/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyLGNJTGQYVCTPIT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.89
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide

N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (PubChem CID 63563710) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
PubChem CID63563710
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC NameN-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)nc1C
InChIInChI=1S/C13H15N5O2S/c1-3-18-8-12(14-9(18)2)21(19,20)17-13-15-10-6-4-5-7-11(10)16-13/h4-8H,3H2,1-2H3,(H2,15,16,17)
InChIKeyLGNJTGQYVCTPIT-UHFFFAOYSA-N
XLogP1.89
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-yl)propane-1-sulfonamide
CID 63564270
N-(1H-benzimidazol-2-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 63563330
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
N-(1H-benzimidazol-2-yl)-1,1,1-trifluoromethanesulfonamide
CID 55213553
N-(1H-benzimidazol-2-yl)-2-bromo-4-methylbenzenesulfonamide
CID 63563135
N-but-3-yn-2-yl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114419083
N-(1H-benzimidazol-2-yl)-2-(methylamino)ethanesulfonamide
CID 63562812
1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
CID 122303539
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
N-(1H-benzimidazol-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 35593263
N-[(2R)-1-aminopropan-2-yl]-1-ethyl-2-methylimidazole-4-sulfonamide
CID 104873356
5-[(1-ethyl-2-methylimidazol-4-yl)sulfonylamino]-1H-pyrazole-4-carbothioamide
CID 79500167

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide (CID 63563710) is N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nc3ccccc3[nH]2)nc1C.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
The InChIKey is LGNJTGQYVCTPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-3-18-8-12(14-9(18)2)21(19,20)17-13-15-10-6-4-5-7-11(10)16-13/h4-8H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide?
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide is sourced from PubChem (CID 63563710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).