15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide

C34H51N3OS — CID 22633592

IUPAC15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C34H51N3OS/c1-26(2)28-20-19-21-29(27(3)4)33(28)37-32(38)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)36-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,35,36)(H,37,38)
InChIKeyTXUBODWSXDPXRI-UHFFFAOYSA-N
MW549.87 g/mol
LogP10.61
Rot. Bonds19

About 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide

15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide (PubChem CID 22633592) has the molecular formula C34H51N3OS and a molecular weight of 549.87 g/mol. Its IUPAC name is 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide.

Molecular Properties

Compound Name15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide
PubChem CID22633592
Molecular FormulaC34H51N3OS
Molecular Weight549.87 g/mol
Exact Mass549.38
IUPAC Name15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C34H51N3OS/c1-26(2)28-20-19-21-29(27(3)4)33(28)37-32(38)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)36-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,35,36)(H,37,38)
InChIKeyTXUBODWSXDPXRI-UHFFFAOYSA-N
XLogP10.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.87
LogP ≤ 510.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide with MolForge

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

Launch Full Analysis

Related Compounds

Pyrrolidine-2,5-dione, 1-[4-(2-benzimidazolylthiomethyl)phenyl]-
CID 604704
1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782
2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-ylmethylsulfanyl)-1H-benzimidazole-4-carboxylic Acid Amide
CID 11221219
2-((2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yl)methylthio)-1H-benzo[d]imidazole-4-carboxamide
CID 11772312
Leminoprazole
CID 65881
Acetamide, 2-(1H-benzimidazol-2-ylthio)-N-phenyl-
CID 207449
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-fluorobenzyl)acetamide
CID 2080354
4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzamide
CID 2119148
N-[(2S)-1-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 2566629
N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]cyclohexanecarboxamide
CID 4652862

Frequently Asked Questions

What is the IUPAC name of 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide?
The IUPAC name of 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide (CID 22633592) is 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide.
What is the SMILES notation for 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide?
The canonical SMILES for 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCCCCCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide?
The InChIKey is TXUBODWSXDPXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N3OS/c1-26(2)28-20-19-21-29(27(3)4)33(28)37-32(38)24-15-13-11-9-7-5-6-8-10-12-14-18-25-39-34-35-30-22-16-17-23-31(30)36-34/h16-17,19-23,26-27H,5-15,18,24-25H2,1-4H3,(H,35,36)(H,37,38).
What are the key properties of 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide?
15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide has a molecular weight of 549.87 g/mol, XLogP of 10.61, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]pentadecanamide is sourced from PubChem (CID 22633592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).