N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide

C18H19N3O2S — CID 54584752

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide
SMILESCSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2S/c1-24-11-10-15(17-19-13-7-3-4-8-14(13)20-17)21-18(23)12-6-2-5-9-16(12)22/h2-9,15,22H,10-11H2,1H3,(H,19,20)(H,21,23)
InChIKeyDWPKCSXLSRIVHG-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide (PubChem CID 54584752) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide
PubChem CID54584752
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide
SMILESCSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2S/c1-24-11-10-15(17-19-13-7-3-4-8-14(13)20-17)21-18(23)12-6-2-5-9-16(12)22/h2-9,15,22H,10-11H2,1H3,(H,19,20)(H,21,23)
InChIKeyDWPKCSXLSRIVHG-UHFFFAOYSA-N
XLogP3.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide (CID 54584752) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide is CSCCC(NC(=O)c1ccccc1O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide?
The InChIKey is DWPKCSXLSRIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-24-11-10-15(17-19-13-7-3-4-8-14(13)20-17)21-18(23)12-6-2-5-9-16(12)22/h2-9,15,22H,10-11H2,1H3,(H,19,20)(H,21,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide has a molecular weight of 341.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-hydroxybenzamide is sourced from PubChem (CID 54584752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).