1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole

C24H26N2O — CID 4631814

IUPAC1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C24H26N2O/c1-2-3-4-9-16-26-23-13-8-7-12-22(23)25-24(26)18-27-21-15-14-19-10-5-6-11-20(19)17-21/h5-8,10-15,17H,2-4,9,16,18H2,1H3
InChIKeyMAVJWDYBEXIQIT-UHFFFAOYSA-N
MW358.49 g/mol
LogP6.35
Rot. Bonds8

About 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole

1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 4631814) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID4631814
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C24H26N2O/c1-2-3-4-9-16-26-23-13-8-7-12-22(23)25-24(26)18-27-21-15-14-19-10-5-6-11-20(19)17-21/h5-8,10-15,17H,2-4,9,16,18H2,1H3
InChIKeyMAVJWDYBEXIQIT-UHFFFAOYSA-N
XLogP6.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
2-[(4-tert-butylphenoxy)methyl]-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879409
1-dodecyl-2-(methoxymethyl)benzimidazole
CID 16996870
1-dodecyl-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999339
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
2-[(2-chlorophenoxy)methyl]-1-nonylbenzimidazole
CID 16997296
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
1-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 4631814) is 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole is CCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is MAVJWDYBEXIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-2-3-4-9-16-26-23-13-8-7-12-22(23)25-24(26)18-27-21-15-14-19-10-5-6-11-20(19)17-21/h5-8,10-15,17H,2-4,9,16,18H2,1H3.
What are the key properties of 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole?
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 358.49 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 4631814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).