1-octan-3-ylbenzimidazole

C15H22N2 — CID 57027329

IUPAC1-octan-3-ylbenzimidazole
SMILESCCCCCC(CC)n1cnc2ccccc21
InChIInChI=1S/C15H22N2/c1-3-5-6-9-13(4-2)17-12-16-14-10-7-8-11-15(14)17/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyRWRCOIOVDASTCV-UHFFFAOYSA-N
MW230.36 g/mol
LogP4.57
Rot. Bonds6

About 1-octan-3-ylbenzimidazole

1-octan-3-ylbenzimidazole (PubChem CID 57027329) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 1-octan-3-ylbenzimidazole.

Molecular Properties

Compound Name1-octan-3-ylbenzimidazole
PubChem CID57027329
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name1-octan-3-ylbenzimidazole
SMILESCCCCCC(CC)n1cnc2ccccc21
InChIInChI=1S/C15H22N2/c1-3-5-6-9-13(4-2)17-12-16-14-10-7-8-11-15(14)17/h7-8,10-13H,3-6,9H2,1-2H3
InChIKeyRWRCOIOVDASTCV-UHFFFAOYSA-N
XLogP4.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-octan-3-ylbenzimidazole 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

sodium;hydride;1-(1-phenyloctadecan-2-yl)benzimidazole
CID 173372966
2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
3-(benzimidazol-1-yl)heptan-4-amine
CID 43184507
1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
CID 173454570
1-octan-3-ylbenzotriazole;hydrobromide
CID 174928412
1-butan-2-ylbenzimidazole;hydrochloride
CID 56832397
1-(2-heptadecylicosyl)benzimidazole
CID 59202249
2-decan-5-ylbenzotriazole
CID 10264563
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361
1-(benzimidazol-1-yl)decan-2-ol
CID 105085738
2-(benzimidazol-1-yl)pentan-3-amine
CID 16785487
2-(benzimidazol-1-yl)-2-hexoxyacetic acid
CID 175730599

Frequently Asked Questions

What is the IUPAC name of 1-octan-3-ylbenzimidazole?
The IUPAC name of 1-octan-3-ylbenzimidazole (CID 57027329) is 1-octan-3-ylbenzimidazole.
What is the SMILES notation for 1-octan-3-ylbenzimidazole?
The canonical SMILES for 1-octan-3-ylbenzimidazole is CCCCCC(CC)n1cnc2ccccc21.
What is the InChIKey of 1-octan-3-ylbenzimidazole?
The InChIKey is RWRCOIOVDASTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-5-6-9-13(4-2)17-12-16-14-10-7-8-11-15(14)17/h7-8,10-13H,3-6,9H2,1-2H3.
What are the key properties of 1-octan-3-ylbenzimidazole?
1-octan-3-ylbenzimidazole has a molecular weight of 230.36 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-3-ylbenzimidazole is sourced from PubChem (CID 57027329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).