3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide

C19H21N3OS — CID 27163927

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCSc1ccccc1
InChIInChI=1S/C19H21N3OS/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22)
InChIKeyKKJVUHPXCUTTNL-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.79
Rot. Bonds8

About 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide (PubChem CID 27163927) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
PubChem CID27163927
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCCCSc1ccccc1
InChIInChI=1S/C19H21N3OS/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22)
InChIKeyKKJVUHPXCUTTNL-UHFFFAOYSA-N
XLogP3.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(3-phenoxypropyl)propanamide
CID 42123055
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30209739
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
2-[2-[3-(1H-benzimidazol-2-yl)propanoylamino]ethoxy]acetic acid
CID 79469685
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
3-(1H-benzimidazol-2-yl)-N-(3-cyclopentylpropyl)propanamide
CID 38335797
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172764
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(furan-2-yl)propanamide
CID 29303584
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide (CID 27163927) is 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)NCCCSc1ccccc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide?
The InChIKey is KKJVUHPXCUTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c23-19(20-13-6-14-24-15-7-2-1-3-8-15)12-11-18-21-16-9-4-5-10-17(16)22-18/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide is sourced from PubChem (CID 27163927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).