2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide

C10H14N4O3S — CID 55091658

IUPAC2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
SMILESNc1ccc2c(c1)nc(CO)n2CCS(N)(=O)=O
InChIInChI=1S/C10H14N4O3S/c11-7-1-2-9-8(5-7)13-10(6-15)14(9)3-4-18(12,16)17/h1-2,5,15H,3-4,6,11H2,(H2,12,16,17)
InChIKeyTUJOIUGYLSOQRA-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.60
Rot. Bonds4

About 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide

2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide (PubChem CID 55091658) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
PubChem CID55091658
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
SMILESNc1ccc2c(c1)nc(CO)n2CCS(N)(=O)=O
InChIInChI=1S/C10H14N4O3S/c11-7-1-2-9-8(5-7)13-10(6-15)14(9)3-4-18(12,16)17/h1-2,5,15H,3-4,6,11H2,(H2,12,16,17)
InChIKeyTUJOIUGYLSOQRA-UHFFFAOYSA-N
XLogP-0.60
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456
[5-amino-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-yl]methanol
CID 81174050
[5-amino-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]methanol
CID 62594326
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
[1-[2-(benzenesulfonyl)ethyl]benzimidazol-2-yl]methanol
CID 47023526
4-(5-amino-2-ethylbenzimidazol-1-yl)butanamide
CID 62508369
[5-amino-1-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methanol
CID 83024690

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide?
The IUPAC name of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide (CID 55091658) is 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide.
What is the SMILES notation for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide?
The canonical SMILES for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide is Nc1ccc2c(c1)nc(CO)n2CCS(N)(=O)=O.
What is the InChIKey of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide?
The InChIKey is TUJOIUGYLSOQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-7-1-2-9-8(5-7)13-10(6-15)14(9)3-4-18(12,16)17/h1-2,5,15H,3-4,6,11H2,(H2,12,16,17).
What are the key properties of 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide?
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide has a molecular weight of 270.31 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide is sourced from PubChem (CID 55091658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).