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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 11675994
CID 11675994
CID 101913340
CID 101913340
CID 1160409
CID 1160409
CID 799599
CID 799599
CID 667181
CID 667181
CID 1250592
CID 1250592
CID 4905543
CID 4905543
CID 12272074
CID 12272074
CID 939877
CID 939877
CID 4912360
CID 4912360
CID 2229966
CID 2229966
CID 3010977
CID 3010977

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).