2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

C19H22N2O2 — CID 16996440

IUPAC2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C19H22N2O2/c1-3-19-20-17-10-4-5-11-18(17)21(19)12-7-13-23-16-9-6-8-15(14-16)22-2/h4-6,8-11,14H,3,7,12-13H2,1-2H3
InChIKeyZCGDSWNWLFQFLM-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.08
Rot. Bonds7

About 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole

2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (PubChem CID 16996440) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.

Molecular Properties

Compound Name2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
PubChem CID16996440
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
SMILESCCc1nc2ccccc2n1CCCOc1cccc(OC)c1
InChIInChI=1S/C19H22N2O2/c1-3-19-20-17-10-4-5-11-18(17)21(19)12-7-13-23-16-9-6-8-15(14-16)22-2/h4-6,8-11,14H,3,7,12-13H2,1-2H3
InChIKeyZCGDSWNWLFQFLM-UHFFFAOYSA-N
XLogP4.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.08
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

2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
1-[3-(3-methoxyphenoxy)propyl]-2-[(2-methylphenyl)methyl]benzimidazole
CID 16996152
2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethanol
CID 19242415
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-[(2-chlorophenyl)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16995769
1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propan-1-ol;hydrochloride
CID 16615626
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
N-[3-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981184
2-(furan-2-yl)-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 17000191
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
N-[2-[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974210
2-(methoxymethyl)-1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 3287715

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The IUPAC name of 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole (CID 16996440) is 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole.
What is the SMILES notation for 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The canonical SMILES for 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is CCc1nc2ccccc2n1CCCOc1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
The InChIKey is ZCGDSWNWLFQFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-19-20-17-10-4-5-11-18(17)21(19)12-7-13-23-16-9-6-8-15(14-16)22-2/h4-6,8-11,14H,3,7,12-13H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole?
2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole has a molecular weight of 310.40 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole is sourced from PubChem (CID 16996440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).