2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole

C29H36N2O — CID 4238705

IUPAC2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C29H36N2O/c1-2-3-4-5-6-7-8-9-14-21-31-28-18-13-12-17-27(28)30-29(31)23-32-26-20-19-24-15-10-11-16-25(24)22-26/h10-13,15-20,22H,2-9,14,21,23H2,1H3
InChIKeyYIVZYNHUIGSVON-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.30
Rot. Bonds13

About 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole

2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole (PubChem CID 4238705) has the molecular formula C29H36N2O and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
PubChem CID4238705
Molecular FormulaC29H36N2O
Molecular Weight428.62 g/mol
Exact Mass428.28
IUPAC Name2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
SMILESCCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21
InChIInChI=1S/C29H36N2O/c1-2-3-4-5-6-7-8-9-14-21-31-28-18-13-12-17-27(28)30-29(31)23-32-26-20-19-24-15-10-11-16-25(24)22-26/h10-13,15-20,22H,2-9,14,21,23H2,1H3
InChIKeyYIVZYNHUIGSVON-UHFFFAOYSA-N
XLogP8.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.30
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-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
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-heptyl-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzimidazole
CID 16997577
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999253
2-nonyl-1-undecylbenzimidazole
CID 139787757

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole (CID 4238705) is 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole is CCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole?
The InChIKey is YIVZYNHUIGSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O/c1-2-3-4-5-6-7-8-9-14-21-31-28-18-13-12-17-27(28)30-29(31)23-32-26-20-19-24-15-10-11-16-25(24)22-26/h10-13,15-20,22H,2-9,14,21,23H2,1H3.
What are the key properties of 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole?
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole has a molecular weight of 428.62 g/mol, XLogP of 8.30, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole is sourced from PubChem (CID 4238705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).