N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide

C16H15N3OS — CID 34327055

IUPACN-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nn1cnc2ccccc21
InChIInChI=1S/C16H15N3OS/c20-16(10-11-21-13-6-2-1-3-7-13)18-19-12-17-14-8-4-5-9-15(14)19/h1-9,12H,10-11H2,(H,18,20)
InChIKeyDVXKOUVUGXBQLK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds5

About N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide

N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide (PubChem CID 34327055) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
PubChem CID34327055
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nn1cnc2ccccc21
InChIInChI=1S/C16H15N3OS/c20-16(10-11-21-13-6-2-1-3-7-13)18-19-12-17-14-8-4-5-9-15(14)19/h1-9,12H,10-11H2,(H,18,20)
InChIKeyDVXKOUVUGXBQLK-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide (CID 34327055) is N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nn1cnc2ccccc21.
What is the InChIKey of N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide?
The InChIKey is DVXKOUVUGXBQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(10-11-21-13-6-2-1-3-7-13)18-19-12-17-14-8-4-5-9-15(14)19/h1-9,12H,10-11H2,(H,18,20).
What are the key properties of N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide?
N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide has a molecular weight of 297.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 34327055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).