N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H19N3O2S — CID 2553721

IUPACN-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-15-16(8-12)21-18(20-15)24-11-17(22)19-10-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYFYLTQNWXYVANJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.29
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2553721) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2553721
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nc3ccc(C)cc3[nH]2)c1
InChIInChI=1S/C18H19N3O2S/c1-12-6-7-15-16(8-12)21-18(20-15)24-11-17(22)19-10-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYFYLTQNWXYVANJ-UHFFFAOYSA-N
XLogP3.29
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2553721) is N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1cccc(CNC(=O)CSc2nc3ccc(C)cc3[nH]2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is YFYLTQNWXYVANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-6-7-15-16(8-12)21-18(20-15)24-11-17(22)19-10-13-4-3-5-14(9-13)23-2/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 341.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2553721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).