1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole

C25H24Cl2N2O — CID 16995771

IUPAC1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
SMILESCc1cc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)ccc1Cl
InChIInChI=1S/C25H24Cl2N2O/c1-18-16-20(12-13-21(18)26)30-15-7-6-14-29-24-11-5-4-10-23(24)28-25(29)17-19-8-2-3-9-22(19)27/h2-5,8-13,16H,6-7,14-15,17H2,1H3
InChIKeyRWOSFYPTTQOGKE-UHFFFAOYSA-N
MW439.39 g/mol
LogP7.10
Rot. Bonds8

About 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole

1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole (PubChem CID 16995771) has the molecular formula C25H24Cl2N2O and a molecular weight of 439.39 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
PubChem CID16995771
Molecular FormulaC25H24Cl2N2O
Molecular Weight439.39 g/mol
Exact Mass438.13
IUPAC Name1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
SMILESCc1cc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)ccc1Cl
InChIInChI=1S/C25H24Cl2N2O/c1-18-16-20(12-13-21(18)26)30-15-7-6-14-29-24-11-5-4-10-23(24)28-25(29)17-19-8-2-3-9-22(19)27/h2-5,8-13,16H,6-7,14-15,17H2,1H3
InChIKeyRWOSFYPTTQOGKE-UHFFFAOYSA-N
XLogP7.10
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 57.10
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

2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
2-[(2-chlorophenyl)methyl]-1-(4-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methanol
CID 5090775
N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2-chlorophenyl)acetamide
CID 16985303
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987436
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 16995725
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
N-[[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]-N-methylacetamide
CID 6494355
N-[[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
CID 16968960
2-chloro-N-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982786
4-[3-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]morpholine
CID 18885507

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole?
The IUPAC name of 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole (CID 16995771) is 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole?
The canonical SMILES for 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole is Cc1cc(OCCCCn2c(Cc3ccccc3Cl)nc3ccccc32)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole?
The InChIKey is RWOSFYPTTQOGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O/c1-18-16-20(12-13-21(18)26)30-15-7-6-14-29-24-11-5-4-10-23(24)28-25(29)17-19-8-2-3-9-22(19)27/h2-5,8-13,16H,6-7,14-15,17H2,1H3.
What are the key properties of 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole?
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole has a molecular weight of 439.39 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole is sourced from PubChem (CID 16995771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).