1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

C32H33ClN2O2 — CID 16996402

IUPAC1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CCCCOc3cc(C)c(Cl)c(C)c3)ccc2c1
InChIInChI=1S/C32H33ClN2O2/c1-21-17-28(18-22(2)31(21)33)37-16-8-7-15-35-30-10-6-5-9-29(30)34-32(35)23(3)24-11-12-26-20-27(36-4)14-13-25(26)19-24/h5-6,9-14,17-20,23H,7-8,15-16H2,1-4H3
InChIKeyGMDBUBCYEWIIGW-UHFFFAOYSA-N
MW513.08 g/mol
LogP8.48
Rot. Bonds9

About 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (PubChem CID 16996402) has the molecular formula C32H33ClN2O2 and a molecular weight of 513.08 g/mol. Its IUPAC name is 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
PubChem CID16996402
Molecular FormulaC32H33ClN2O2
Molecular Weight513.08 g/mol
Exact Mass512.22
IUPAC Name1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3CCCCOc3cc(C)c(Cl)c(C)c3)ccc2c1
InChIInChI=1S/C32H33ClN2O2/c1-21-17-28(18-22(2)31(21)33)37-16-8-7-15-35-30-10-6-5-9-29(30)34-32(35)23(3)24-11-12-26-20-27(36-4)14-13-25(26)19-24/h5-6,9-14,17-20,23H,7-8,15-16H2,1-4H3
InChIKeyGMDBUBCYEWIIGW-UHFFFAOYSA-N
XLogP8.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]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-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996543
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16996364
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998558
1-[4-(3-methoxyphenoxy)butyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996279
1-[3-(4-methoxyphenoxy)propyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 16996265
N-[1-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16972593

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (CID 16996402) is 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is COc1ccc2cc(C(C)c3nc4ccccc4n3CCCCOc3cc(C)c(Cl)c(C)c3)ccc2c1.
What is the InChIKey of 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The InChIKey is GMDBUBCYEWIIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN2O2/c1-21-17-28(18-22(2)31(21)33)37-16-8-7-15-35-30-10-6-5-9-29(30)34-32(35)23(3)24-11-12-26-20-27(36-4)14-13-25(26)19-24/h5-6,9-14,17-20,23H,7-8,15-16H2,1-4H3.
What are the key properties of 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole has a molecular weight of 513.08 g/mol, XLogP of 8.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 16996402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).