2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole

C23H21ClN2O — CID 16995725

IUPAC2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H21ClN2O/c24-20-12-5-4-9-18(20)17-23-25-21-13-6-7-14-22(21)26(23)15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-17H2
InChIKeyOSIUZBFDOUAJEF-UHFFFAOYSA-N
MW376.89 g/mol
LogP5.75
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole

2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole (PubChem CID 16995725) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
PubChem CID16995725
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
SMILESClc1ccccc1Cc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C23H21ClN2O/c24-20-12-5-4-9-18(20)17-23-25-21-13-6-7-14-22(21)26(23)15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-17H2
InChIKeyOSIUZBFDOUAJEF-UHFFFAOYSA-N
XLogP5.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 55.75
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-phenoxybutyl)benzimidazole
CID 16995754
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
2-[(2-chlorophenyl)methyl]-1-[2-(4-ethylphenoxy)ethyl]benzimidazole
CID 16995718
2-[(2-chlorophenyl)methyl]-1-[4-(3,4-dimethylphenoxy)butyl]benzimidazole
CID 16995768
1-[4-(4-chloro-3-methylphenoxy)butyl]-2-[(2-chlorophenyl)methyl]benzimidazole
CID 16995771
2-[(2-chlorophenyl)methyl]-1-[2-(3-methylphenoxy)ethyl]benzimidazole
CID 16995712
2-[(2-chlorophenyl)methyl]-1-(2-phenylethyl)benzimidazole
CID 16995695
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
2-benzyl-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16995600
2-[(2-chlorophenoxy)methyl]-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 16997380
2-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]propanamide
CID 17006257
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole (CID 16995725) is 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole is Clc1ccccc1Cc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
The InChIKey is OSIUZBFDOUAJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c24-20-12-5-4-9-18(20)17-23-25-21-13-6-7-14-22(21)26(23)15-8-16-27-19-10-2-1-3-11-19/h1-7,9-14H,8,15-17H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole?
2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole has a molecular weight of 376.89 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(3-phenoxypropyl)benzimidazole is sourced from PubChem (CID 16995725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).