2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole

C24H26N2 — CID 175558320

IUPAC2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
SMILESCCCCCC(Cc1nc2ccccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C24H26N2/c1-2-3-4-11-19(17-24-25-22-15-7-8-16-23(22)26-24)21-14-9-12-18-10-5-6-13-20(18)21/h5-10,12-16,19H,2-4,11,17H2,1H3,(H,25,26)
InChIKeyKOFBPRUTZITSLB-UHFFFAOYSA-N
MW342.49 g/mol
LogP6.62
Rot. Bonds7

About 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole

2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole (PubChem CID 175558320) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
PubChem CID175558320
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
SMILESCCCCCC(Cc1nc2ccccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C24H26N2/c1-2-3-4-11-19(17-24-25-22-15-7-8-16-23(22)26-24)21-14-9-12-18-10-5-6-13-20(18)21/h5-10,12-16,19H,2-4,11,17H2,1H3,(H,25,26)
InChIKeyKOFBPRUTZITSLB-UHFFFAOYSA-N
XLogP6.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole?
The IUPAC name of 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole (CID 175558320) is 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole is CCCCCC(Cc1nc2ccccc2[nH]1)c1cccc2ccccc12.
What is the InChIKey of 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole?
The InChIKey is KOFBPRUTZITSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2/c1-2-3-4-11-19(17-24-25-22-15-7-8-16-23(22)26-24)21-14-9-12-18-10-5-6-13-20(18)21/h5-10,12-16,19H,2-4,11,17H2,1H3,(H,25,26).
What are the key properties of 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole?
2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole has a molecular weight of 342.49 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole is sourced from PubChem (CID 175558320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).