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

C19H21N3OS — CID 4270459

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
SMILESCSCCC(NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3OS/c1-24-12-11-17(19-21-15-9-5-6-10-16(15)22-19)20-18(23)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyHOZREJXNVKCSFT-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.72
Rot. Bonds7

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

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide (PubChem CID 4270459) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
PubChem CID4270459
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
SMILESCSCCC(NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3OS/c1-24-12-11-17(19-21-15-9-5-6-10-16(15)22-19)20-18(23)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyHOZREJXNVKCSFT-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide (CID 4270459) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide is CSCCC(NC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide?
The InChIKey is HOZREJXNVKCSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-24-12-11-17(19-21-15-9-5-6-10-16(15)22-19)20-18(23)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide has a molecular weight of 339.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide is sourced from PubChem (CID 4270459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).