N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C17H14N4OS — CID 776782

IUPACN-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)[nH]c2c1
InChIInChI=1S/C17H14N4OS/c1-11-2-7-14-15(8-11)21-17(20-14)23-10-16(22)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyFRYXGCKZERMKNX-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.47
Rot. Bonds4

About N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 776782) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID776782
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC NameN-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)[nH]c2c1
InChIInChI=1S/C17H14N4OS/c1-11-2-7-14-15(8-11)21-17(20-14)23-10-16(22)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyFRYXGCKZERMKNX-UHFFFAOYSA-N
XLogP3.47
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 776782) is N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is Cc1ccc2nc(SCC(=O)Nc3ccc(C#N)cc3)[nH]c2c1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is FRYXGCKZERMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-11-2-7-14-15(8-11)21-17(20-14)23-10-16(22)19-13-5-3-12(9-18)4-6-13/h2-8H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 322.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 776782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).