10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide

C29H41N3OS — CID 22633589

IUPAC10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C29H41N3OS/c1-21(2)23-15-14-16-24(22(3)4)28(23)32-27(33)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)31-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyFPBMVJFJRODDHP-UHFFFAOYSA-N
MW479.73 g/mol
LogP8.66
Rot. Bonds14

About 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide

10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide (PubChem CID 22633589) has the molecular formula C29H41N3OS and a molecular weight of 479.73 g/mol. Its IUPAC name is 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide.

Molecular Properties

Compound Name10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
PubChem CID22633589
Molecular FormulaC29H41N3OS
Molecular Weight479.73 g/mol
Exact Mass479.30
IUPAC Name10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C29H41N3OS/c1-21(2)23-15-14-16-24(22(3)4)28(23)32-27(33)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)31-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,30,31)(H,32,33)
InChIKeyFPBMVJFJRODDHP-UHFFFAOYSA-N
XLogP8.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.73
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Benzylthiobenzimidazole
CID 416770
2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
CID 119157
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
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329
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

Frequently Asked Questions

What is the IUPAC name of 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The IUPAC name of 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide (CID 22633589) is 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide.
What is the SMILES notation for 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The canonical SMILES for 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCCCCCCCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
The InChIKey is FPBMVJFJRODDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3OS/c1-21(2)23-15-14-16-24(22(3)4)28(23)32-27(33)19-10-8-6-5-7-9-13-20-34-29-30-25-17-11-12-18-26(25)31-29/h11-12,14-18,21-22H,5-10,13,19-20H2,1-4H3,(H,30,31)(H,32,33).
What are the key properties of 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide?
10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide has a molecular weight of 479.73 g/mol, XLogP of 8.66, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-benzimidazol-2-ylsulfanyl)-N-[2,6-di(propan-2-yl)phenyl]decanamide is sourced from PubChem (CID 22633589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).