1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

C26H30N2O — CID 18811183

IUPAC1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCCCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C26H30N2O/c1-4-5-6-9-16-28-25-11-8-7-10-24(25)27-26(28)19(2)20-12-13-22-18-23(29-3)15-14-21(22)17-20/h7-8,10-15,17-19H,4-6,9,16H2,1-3H3
InChIKeyUSPUZPKOOLSWOG-UHFFFAOYSA-N
MW386.54 g/mol
LogP6.93
Rot. Bonds8

About 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (PubChem CID 18811183) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
PubChem CID18811183
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCCCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21
InChIInChI=1S/C26H30N2O/c1-4-5-6-9-16-28-25-11-8-7-10-24(25)27-26(28)19(2)20-12-13-22-18-23(29-3)15-14-21(22)17-20/h7-8,10-15,17-19H,4-6,9,16H2,1-3H3
InChIKeyUSPUZPKOOLSWOG-UHFFFAOYSA-N
XLogP6.93
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 56.93
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

1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16996364
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
CID 16996375
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
1-hexyl-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 3851676
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-nonylbenzimidazole
CID 94366022
1-hexyl-2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7005495

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (CID 18811183) is 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is CCCCCCn1c(C(C)c2ccc3cc(OC)ccc3c2)nc2ccccc21.
What is the InChIKey of 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The InChIKey is USPUZPKOOLSWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-4-5-6-9-16-28-25-11-8-7-10-24(25)27-26(28)19(2)20-12-13-22-18-23(29-3)15-14-21(22)17-20/h7-8,10-15,17-19H,4-6,9,16H2,1-3H3.
What are the key properties of 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole has a molecular weight of 386.54 g/mol, XLogP of 6.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 18811183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).