2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole

C17H28N2 — CID 44582978

IUPAC2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESC=CCCCCCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-9-14-17-18-15-12-10-11-13-16(15)19-17/h2H,1,3-14H2,(H,18,19)
InChIKeyRFEDMUHURNUEHP-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.75
Rot. Bonds9

About 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole

2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 44582978) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID44582978
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESC=CCCCCCCCCc1nc2c([nH]1)CCCC2
InChIInChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-9-14-17-18-15-12-10-11-13-16(15)19-17/h2H,1,3-14H2,(H,18,19)
InChIKeyRFEDMUHURNUEHP-UHFFFAOYSA-N
XLogP4.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole (CID 44582978) is 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole is C=CCCCCCCCCc1nc2c([nH]1)CCCC2.
What is the InChIKey of 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is RFEDMUHURNUEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-5-6-7-8-9-14-17-18-15-12-10-11-13-16(15)19-17/h2H,1,3-14H2,(H,18,19).
What are the key properties of 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole?
2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 260.42 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enyl-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 44582978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).