2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole

C28H25ClN2O2 — CID 16999140

IUPAC2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
SMILESCc1cc(OC(C)c2nc3ccccc3n2CCOc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C28H25ClN2O2/c1-19-18-22(14-15-24(19)29)33-20(2)28-30-25-11-5-6-12-26(25)31(28)16-17-32-27-13-7-9-21-8-3-4-10-23(21)27/h3-15,18,20H,16-17H2,1-2H3
InChIKeyKIAXTDPDBTUGKR-UHFFFAOYSA-N
MW456.97 g/mol
LogP7.37
Rot. Bonds7

About 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole (PubChem CID 16999140) has the molecular formula C28H25ClN2O2 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
PubChem CID16999140
Molecular FormulaC28H25ClN2O2
Molecular Weight456.97 g/mol
Exact Mass456.16
IUPAC Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole
SMILESCc1cc(OC(C)c2nc3ccccc3n2CCOc2cccc3ccccc23)ccc1Cl
InChIInChI=1S/C28H25ClN2O2/c1-19-18-22(14-15-24(19)29)33-20(2)28-30-25-11-5-6-12-26(25)31(28)16-17-32-27-13-7-9-21-8-3-4-10-23(21)27/h3-15,18,20H,16-17H2,1-2H3
InChIKeyKIAXTDPDBTUGKR-UHFFFAOYSA-N
XLogP7.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.97
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16999148
2-[1-(4-chlorophenoxy)ethyl]-1-(3-naphthalen-1-yloxypropyl)benzimidazole
CID 16999005
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999141
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole
CID 16999173
2-[1-(4-chlorophenoxy)ethyl]-1-[2-(2-chlorophenoxy)ethyl]benzimidazole
CID 16998965
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 16999069
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-[(3-methylphenyl)methyl]benzimidazole
CID 16999090
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-cyclohexylethyl)benzimidazole
CID 16999112
2-chloro-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967689
1-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 23607145
2-[1-(4-chlorophenoxy)ethyl]-1-[3-(2,3-dimethylphenoxy)propyl]benzimidazole
CID 16998981
2-[1-(3-methylphenoxy)ethyl]-1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
CID 18877854

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole (CID 16999140) is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole is Cc1cc(OC(C)c2nc3ccccc3n2CCOc2cccc3ccccc23)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
The InChIKey is KIAXTDPDBTUGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O2/c1-19-18-22(14-15-24(19)29)33-20(2)28-30-25-11-5-6-12-26(25)31(28)16-17-32-27-13-7-9-21-8-3-4-10-23(21)27/h3-15,18,20H,16-17H2,1-2H3.
What are the key properties of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole?
2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole has a molecular weight of 456.97 g/mol, XLogP of 7.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-(2-naphthalen-1-yloxyethyl)benzimidazole is sourced from PubChem (CID 16999140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).