2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide

C17H23N3OS — CID 24817887

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23N3OS/c1-11-7-3-4-8-13(11)18-16(21)12(2)22-17-19-14-9-5-6-10-15(14)20-17/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXXFFNUBOFHXZRJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.74
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide (PubChem CID 24817887) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide
PubChem CID24817887
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide
SMILESCC(Sc1nc2ccccc2[nH]1)C(=O)NC1CCCCC1C
InChIInChI=1S/C17H23N3OS/c1-11-7-3-4-8-13(11)18-16(21)12(2)22-17-19-14-9-5-6-10-15(14)20-17/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyXXFFNUBOFHXZRJ-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-{5-[4,5-Bis-(4-dimethylamino-phenyl)-1H-imidazol-2-ylsulfanyl]-pentyl}-1-heptyl-3-isopropyl-urea
CID 9938743
1-[(1H-benzimidazol-2-ylthio)acetyl]-N-(1,1'-biphenyl-2-yl)-L-prolinamide
CID 44454577
2-(isopentylthio)-1H-benzo[d]imidazole
CID 713234
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-methylbutanamide
CID 4233329
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzylacetamide
CID 721830
2-{3H-Imidazo[4,5-B]pyridin-2-ylsulfanyl}-N-(2-phenylethyl)acetamide
CID 606016
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
N-(4-cyanophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 776782

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide (CID 24817887) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide is CC(Sc1nc2ccccc2[nH]1)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide?
The InChIKey is XXFFNUBOFHXZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11-7-3-4-8-13(11)18-16(21)12(2)22-17-19-14-9-5-6-10-15(14)20-17/h5-6,9-13H,3-4,7-8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide has a molecular weight of 317.46 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-methylcyclohexyl)propanamide is sourced from PubChem (CID 24817887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).