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

C18H17N3O2S — CID 2507219

IUPACN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-8-15-16(9-11)21-18(20-15)24-10-17(23)13-4-6-14(7-5-13)19-12(2)22/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIYTYHTFXBKBPKP-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide (PubChem CID 2507219) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
PubChem CID2507219
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C18H17N3O2S/c1-11-3-8-15-16(9-11)21-18(20-15)24-10-17(23)13-4-6-14(7-5-13)19-12(2)22/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyIYTYHTFXBKBPKP-UHFFFAOYSA-N
XLogP3.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide (CID 2507219) is N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1.
What is the InChIKey of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
The InChIKey is IYTYHTFXBKBPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-11-3-8-15-16(9-11)21-18(20-15)24-10-17(23)13-4-6-14(7-5-13)19-12(2)22/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide?
N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 2507219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).