2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole

C28H25ClN2O2 — CID 16999005

IUPAC2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C28H25ClN2O2/c1-20(33-23-16-14-22(29)15-17-23)28-30-25-11-4-5-12-26(25)31(28)18-7-19-32-27-13-6-9-21-8-2-3-10-24(21)27/h2-6,8-17,20H,7,18-19H2,1H3
InChIKeyDZQPVTZEPFJWLU-UHFFFAOYSA-N
MW456.97 g/mol
LogP7.45
Rot. Bonds8

About 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole

2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole (PubChem CID 16999005) has the molecular formula C28H25ClN2O2 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
PubChem CID16999005
Molecular FormulaC28H25ClN2O2
Molecular Weight456.97 g/mol
Exact Mass456.16
IUPAC Name2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
SMILESCC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCCOc1cccc2ccccc12
InChIInChI=1S/C28H25ClN2O2/c1-20(33-23-16-14-22(29)15-17-23)28-30-25-11-4-5-12-26(25)31(28)18-7-19-32-27-13-6-9-21-8-2-3-10-24(21)27/h2-6,8-17,20H,7,18-19H2,1H3
InChIKeyDZQPVTZEPFJWLU-UHFFFAOYSA-N
XLogP7.45
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenoxy)ethyl]-1-[3-(2,3-dimethylphenoxy)propyl]benzimidazole
CID 16998981
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
CID 16999140
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16998999
1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethanol
CID 3160724
2-[1-(4-chlorophenoxy)ethyl]-1-(2-ethoxyethyl)benzimidazole
CID 16999033
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 16998977
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
N-[1-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967403
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-(2,4-dichlorophenyl)-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16987769
2-[(1R)-1-phenoxyethyl]-1-(2-phenoxyethyl)benzimidazole
CID 7574593

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The IUPAC name of 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole (CID 16999005) is 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole.
What is the SMILES notation for 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The canonical SMILES for 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole is CC(Oc1ccc(Cl)cc1)c1nc2ccccc2n1CCCOc1cccc2ccccc12.
What is the InChIKey of 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
The InChIKey is DZQPVTZEPFJWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O2/c1-20(33-23-16-14-22(29)15-17-23)28-30-25-11-4-5-12-26(25)31(28)18-7-19-32-27-13-6-9-21-8-2-3-10-24(21)27/h2-6,8-17,20H,7,18-19H2,1H3.
What are the key properties of 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole?
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole has a molecular weight of 456.97 g/mol, XLogP of 7.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole is sourced from PubChem (CID 16999005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).