1-methyl-3-nonyl-2H-benzimidazole

C17H28N2 — CID 138678028

IUPAC1-methyl-3-nonyl-2H-benzimidazole
SMILESCCCCCCCCCN1CN(C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-3-4-5-6-7-8-11-14-19-15-18(2)16-12-9-10-13-17(16)19/h9-10,12-13H,3-8,11,14-15H2,1-2H3
InChIKeyOJNFVJOAWGFJHI-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.65
Rot. Bonds8

About 1-methyl-3-nonyl-2H-benzimidazole

1-methyl-3-nonyl-2H-benzimidazole (PubChem CID 138678028) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1-methyl-3-nonyl-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-nonyl-2H-benzimidazole
PubChem CID138678028
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1-methyl-3-nonyl-2H-benzimidazole
SMILESCCCCCCCCCN1CN(C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-3-4-5-6-7-8-11-14-19-15-18(2)16-12-9-10-13-17(16)19/h9-10,12-13H,3-8,11,14-15H2,1-2H3
InChIKeyOJNFVJOAWGFJHI-UHFFFAOYSA-N
XLogP4.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nonyl-2H-benzimidazole?
The IUPAC name of 1-methyl-3-nonyl-2H-benzimidazole (CID 138678028) is 1-methyl-3-nonyl-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-nonyl-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-nonyl-2H-benzimidazole is CCCCCCCCCN1CN(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-nonyl-2H-benzimidazole?
The InChIKey is OJNFVJOAWGFJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-5-6-7-8-11-14-19-15-18(2)16-12-9-10-13-17(16)19/h9-10,12-13H,3-8,11,14-15H2,1-2H3.
What are the key properties of 1-methyl-3-nonyl-2H-benzimidazole?
1-methyl-3-nonyl-2H-benzimidazole has a molecular weight of 260.42 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nonyl-2H-benzimidazole is sourced from PubChem (CID 138678028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).