1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole

C24H23ClN2O2 — CID 16997763

IUPAC1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c1-18-7-2-5-10-23(18)29-17-24-26-21-8-3-4-9-22(21)27(24)15-6-16-28-20-13-11-19(25)12-14-20/h2-5,7-14H,6,15-17H2,1H3
InChIKeyQHSZYPHDBXRIGB-UHFFFAOYSA-N
MW406.91 g/mol
LogP6.05
Rot. Bonds8

About 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole

1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole (PubChem CID 16997763) has the molecular formula C24H23ClN2O2 and a molecular weight of 406.91 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
PubChem CID16997763
Molecular FormulaC24H23ClN2O2
Molecular Weight406.91 g/mol
Exact Mass406.14
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
SMILESCc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O2/c1-18-7-2-5-10-23(18)29-17-24-26-21-8-3-4-9-22(21)27(24)15-6-16-28-20-13-11-19(25)12-14-20/h2-5,7-14H,6,15-17H2,1H3
InChIKeyQHSZYPHDBXRIGB-UHFFFAOYSA-N
XLogP6.05
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.91
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3,5-dimethylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997760
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997767
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
2-[(2,4-dichlorophenoxy)methyl]-1-[3-(3,4-dimethylphenoxy)propyl]benzimidazole
CID 16997226
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
1-[4-(4-chlorophenoxy)butyl]-2-[(4-propan-2-ylphenoxy)methyl]benzimidazole
CID 16998683
5-chloro-1-(3-ethoxypropyl)-2-[(2-methylphenoxy)methyl]benzimidazole
CID 46308742
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
1-[3-(4-tert-butylphenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997229
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole (CID 16997763) is 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole is Cc1ccccc1OCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
The InChIKey is QHSZYPHDBXRIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2/c1-18-7-2-5-10-23(18)29-17-24-26-21-8-3-4-9-22(21)27(24)15-6-16-28-20-13-11-19(25)12-14-20/h2-5,7-14H,6,15-17H2,1H3.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole?
1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole has a molecular weight of 406.91 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-2-[(2-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16997763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).