3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide

C19H21N3O3S — CID 21137740

IUPAC3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
SMILESCSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O
InChIInChI=1S/C19H21N3O3S/c1-22-16-10-13(23)5-8-15(16)21-18(22)11-25-14-6-3-12(4-7-14)9-17(26-2)19(20)24/h3-8,10,17,23H,9,11H2,1-2H3,(H2,20,24)
InChIKeyPIVUSBYUJSQZGP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.62
Rot. Bonds7

About 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide

3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide (PubChem CID 21137740) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
PubChem CID21137740
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
SMILESCSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O
InChIInChI=1S/C19H21N3O3S/c1-22-16-10-13(23)5-8-15(16)21-18(22)11-25-14-6-3-12(4-7-14)9-17(26-2)19(20)24/h3-8,10,17,23H,9,11H2,1-2H3,(H2,20,24)
InChIKeyPIVUSBYUJSQZGP-UHFFFAOYSA-N
XLogP2.62
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide (CID 21137740) is 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide is CSC(Cc1ccc(OCc2nc3ccc(O)cc3n2C)cc1)C(N)=O.
What is the InChIKey of 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The InChIKey is PIVUSBYUJSQZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-22-16-10-13(23)5-8-15(16)21-18(22)11-25-14-6-3-12(4-7-14)9-17(26-2)19(20)24/h3-8,10,17,23H,9,11H2,1-2H3,(H2,20,24).
What are the key properties of 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide has a molecular weight of 371.46 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 21137740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).