phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate

C19H16N2O4S — CID 51129162

IUPACphenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate
SMILESO=S(=O)(CCn1c(-c2ccoc2)nc2ccccc21)Oc1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-26(23,25-16-6-2-1-3-7-16)13-11-21-18-9-5-4-8-17(18)20-19(21)15-10-12-24-14-15/h1-10,12,14H,11,13H2
InChIKeyLAKDDABYUPBGQK-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.71
Rot. Bonds6

About phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate

phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate (PubChem CID 51129162) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate.

Molecular Properties

Compound Namephenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate
PubChem CID51129162
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Namephenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate
SMILESO=S(=O)(CCn1c(-c2ccoc2)nc2ccccc21)Oc1ccccc1
InChIInChI=1S/C19H16N2O4S/c22-26(23,25-16-6-2-1-3-7-16)13-11-21-18-9-5-4-8-17(18)20-19(21)15-10-12-24-14-15/h1-10,12,14H,11,13H2
InChIKeyLAKDDABYUPBGQK-UHFFFAOYSA-N
XLogP3.71
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate 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

2-[2-(furan-3-yl)benzimidazol-1-yl]acetic acid
CID 43349125
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
1-butyl-2-(3-methoxyphenyl)benzimidazole
CID 17001670
[4-(1-benzylbenzimidazol-2-yl)phenyl] 5-chloro-2-methoxybenzenesulfonate
CID 110504374
2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
CID 58974418
1-(2,5-dimethylphenoxy)-3-[2-(furan-3-yl)benzimidazol-1-yl]propan-2-ol
CID 47087322
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
2-(4-tert-butylphenyl)-1-(4-phenoxybutyl)benzimidazole
CID 84571497
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate?
The IUPAC name of phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate (CID 51129162) is phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate.
What is the SMILES notation for phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate?
The canonical SMILES for phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate is O=S(=O)(CCn1c(-c2ccoc2)nc2ccccc21)Oc1ccccc1.
What is the InChIKey of phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate?
The InChIKey is LAKDDABYUPBGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c22-26(23,25-16-6-2-1-3-7-16)13-11-21-18-9-5-4-8-17(18)20-19(21)15-10-12-24-14-15/h1-10,12,14H,11,13H2.
What are the key properties of phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate?
phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate has a molecular weight of 368.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[2-(furan-3-yl)benzimidazol-1-yl]ethanesulfonate is sourced from PubChem (CID 51129162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).