2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole

C25H25ClN2O — CID 18878462

IUPAC2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
SMILESCc1ccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H25ClN2O/c1-18-8-13-24(19(2)16-18)29-15-5-14-28-23-7-4-3-6-22(23)27-25(28)17-20-9-11-21(26)12-10-20/h3-4,6-13,16H,5,14-15,17H2,1-2H3
InChIKeyNWFOINMHGJRAPJ-UHFFFAOYSA-N
MW404.94 g/mol
LogP6.37
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole

2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole (PubChem CID 18878462) has the molecular formula C25H25ClN2O and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
PubChem CID18878462
Molecular FormulaC25H25ClN2O
Molecular Weight404.94 g/mol
Exact Mass404.17
IUPAC Name2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
SMILESCc1ccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H25ClN2O/c1-18-8-13-24(19(2)16-18)29-15-5-14-28-23-7-4-3-6-22(23)27-25(28)17-20-9-11-21(26)12-10-20/h3-4,6-13,16H,5,14-15,17H2,1-2H3
InChIKeyNWFOINMHGJRAPJ-UHFFFAOYSA-N
XLogP6.37
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 56.37
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-benzyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 16995586
1-[4-(2,4-dimethylphenoxy)butyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995939
2-[(4-chlorophenyl)methyl]-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 18878460
2-[(4-chlorophenyl)methyl]-1-[4-(2,3-dimethylphenoxy)butyl]benzimidazole
CID 16995841
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996115
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885573
1-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-phenylethyl)benzimidazole
CID 16999468
2-tert-butyl-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole
CID 17000411
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
2-[(4-chlorophenyl)methyl]-1-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butyl]benzimidazole
CID 16995848
2-[(4-chlorophenyl)methyl]-1-hexylbenzimidazole
CID 18878400
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole (CID 18878462) is 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole is Cc1ccc(OCCCn2c(Cc3ccc(Cl)cc3)nc3ccccc32)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole?
The InChIKey is NWFOINMHGJRAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O/c1-18-8-13-24(19(2)16-18)29-15-5-14-28-23-7-4-3-6-22(23)27-25(28)17-20-9-11-21(26)12-10-20/h3-4,6-13,16H,5,14-15,17H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole?
2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole has a molecular weight of 404.94 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1-[3-(2,4-dimethylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 18878462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).