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

C27H23ClN2O2 — CID 16999253

IUPAC1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1cc(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C27H23ClN2O2/c1-19-16-22(12-13-24(19)28)31-15-14-30-26-9-5-4-8-25(26)29-27(30)18-32-23-11-10-20-6-2-3-7-21(20)17-23/h2-13,16-17H,14-15,18H2,1H3
InChIKeySUCVTOOZGIJRIS-UHFFFAOYSA-N
MW442.95 g/mol
LogP6.81
Rot. Bonds7

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

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (PubChem CID 16999253) has the molecular formula C27H23ClN2O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
PubChem CID16999253
Molecular FormulaC27H23ClN2O2
Molecular Weight442.95 g/mol
Exact Mass442.14
IUPAC Name1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
SMILESCc1cc(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C27H23ClN2O2/c1-19-16-22(12-13-24(19)28)31-15-14-30-26-9-5-4-8-25(26)29-27(30)18-32-23-11-10-20-6-2-3-7-21(20)17-23/h2-13,16-17H,14-15,18H2,1H3
InChIKeySUCVTOOZGIJRIS-UHFFFAOYSA-N
XLogP6.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.95
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997884
2-[(4-chlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 18879299
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997200
2-[(2,4-dichlorophenoxy)methyl]-1-(2-naphthalen-2-yloxyethyl)benzimidazole
CID 3107569
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 16999241
[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
CID 5090775
1-(4-naphthalen-2-yloxybutyl)-2-(phenoxymethyl)benzimidazole
CID 18879280
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997345
2-[(4-chlorophenoxy)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16997088
1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997881
2-[3-(azepan-1-yl)propyl]-1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazole
CID 18885663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The IUPAC name of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole (CID 16999253) is 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The canonical SMILES for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is Cc1cc(OCCn2c(COc3ccc4ccccc4c3)nc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
The InChIKey is SUCVTOOZGIJRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O2/c1-19-16-22(12-13-24(19)28)31-15-14-30-26-9-5-4-8-25(26)29-27(30)18-32-23-11-10-20-6-2-3-7-21(20)17-23/h2-13,16-17H,14-15,18H2,1H3.
What are the key properties of 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole?
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole has a molecular weight of 442.95 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(naphthalen-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 16999253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).