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

C19H19N3O2S — CID 2549650

IUPACN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-18(24)20-14-7-5-13(6-8-14)17(23)11-25-19-21-15-9-4-12(2)10-16(15)22-19/h4-10H,3,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyAJHNCLYSNXRGNI-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.19
Rot. Bonds6

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

N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide (PubChem CID 2549650) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide
PubChem CID2549650
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2S/c1-3-18(24)20-14-7-5-13(6-8-14)17(23)11-25-19-21-15-9-4-12(2)10-16(15)22-19/h4-10H,3,11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyAJHNCLYSNXRGNI-UHFFFAOYSA-N
XLogP4.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide (CID 2549650) is N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide is CCC(=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]propanamide?
The InChIKey is AJHNCLYSNXRGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-18(24)20-14-7-5-13(6-8-14)17(23)11-25-19-21-15-9-4-12(2)10-16(15)22-19/h4-10H,3,11H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide?
N-[4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]propanamide has a molecular weight of 353.45 g/mol, XLogP of 4.19, 6 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]propanamide is sourced from PubChem (CID 2549650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).