1-[3-(3-methylphenoxy)propyl]benzimidazole

C17H18N2O — CID 2150317

IUPAC1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2cnc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-14-6-4-7-15(12-14)20-11-5-10-19-13-18-16-8-2-3-9-17(16)19/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyAPGFMWCFWLTPFE-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-(3-methylphenoxy)propyl]benzimidazole

1-[3-(3-methylphenoxy)propyl]benzimidazole (PubChem CID 2150317) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)propyl]benzimidazole
PubChem CID2150317
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[3-(3-methylphenoxy)propyl]benzimidazole
SMILESCc1cccc(OCCCn2cnc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-14-6-4-7-15(12-14)20-11-5-10-19-13-18-16-8-2-3-9-17(16)19/h2-4,6-9,12-13H,5,10-11H2,1H3
InChIKeyAPGFMWCFWLTPFE-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.81
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

3-[3-(3-methylphenoxy)propyl]quinazolin-4-one
CID 30466913
oxalic acid;1-[3-(3-phenoxyphenoxy)propyl]benzimidazole
CID 2965935
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715
1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
CID 90039514
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(2,4-dimethylphenyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 16987594
1-[4-(2,4-dimethylphenoxy)butyl]benzimidazole;oxalic acid
CID 2949443
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-(3-bromophenoxy)ethyl]benzimidazole;oxalic acid
CID 2966083

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)propyl]benzimidazole?
The IUPAC name of 1-[3-(3-methylphenoxy)propyl]benzimidazole (CID 2150317) is 1-[3-(3-methylphenoxy)propyl]benzimidazole.
What is the SMILES notation for 1-[3-(3-methylphenoxy)propyl]benzimidazole?
The canonical SMILES for 1-[3-(3-methylphenoxy)propyl]benzimidazole is Cc1cccc(OCCCn2cnc3ccccc32)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)propyl]benzimidazole?
The InChIKey is APGFMWCFWLTPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-14-6-4-7-15(12-14)20-11-5-10-19-13-18-16-8-2-3-9-17(16)19/h2-4,6-9,12-13H,5,10-11H2,1H3.
What are the key properties of 1-[3-(3-methylphenoxy)propyl]benzimidazole?
1-[3-(3-methylphenoxy)propyl]benzimidazole has a molecular weight of 266.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)propyl]benzimidazole is sourced from PubChem (CID 2150317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).