2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide

C19H21N3O2S — CID 51144196

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2S/c1-13(11-24-2)20-18(23)15-8-4-3-7-14(15)12-25-19-21-16-9-5-6-10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPZJLFUDFFDFCQG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.62
Rot. Bonds7

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide

2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 51144196) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID51144196
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O2S/c1-13(11-24-2)20-18(23)15-8-4-3-7-14(15)12-25-19-21-16-9-5-6-10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPZJLFUDFFDFCQG-UHFFFAOYSA-N
XLogP3.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide (CID 51144196) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is PZJLFUDFFDFCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13(11-24-2)20-18(23)15-8-4-3-7-14(15)12-25-19-21-16-9-5-6-10-17(16)22-19/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 355.46 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 51144196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).