1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine

C17H19N3O2 — CID 82359465

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
SMILESCNc1nc2ccccc2n1CCOc1ccc(OC)cc1
InChIInChI=1S/C17H19N3O2/c1-18-17-19-15-5-3-4-6-16(15)20(17)11-12-22-14-9-7-13(21-2)8-10-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyNMFNHRMVKALJOD-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine

1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine (PubChem CID 82359465) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
PubChem CID82359465
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
SMILESCNc1nc2ccccc2n1CCOc1ccc(OC)cc1
InChIInChI=1S/C17H19N3O2/c1-18-17-19-15-5-3-4-6-16(15)20(17)11-12-22-14-9-7-13(21-2)8-10-14/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyNMFNHRMVKALJOD-UHFFFAOYSA-N
XLogP3.17
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 17000405
N-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 3744978
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
1-[2-(4-methoxyphenoxy)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 16999685
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(2-phenoxyethyl)benzimidazole
CID 6040576
1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
CID 1298158
1-[2-(4-ethylphenoxy)ethyl]-2-[(4-methoxyphenoxy)methyl]benzimidazole
CID 16998482
3-[2-(methylamino)benzimidazol-1-yl]propan-1-ol
CID 82359483
2-(2,4-dimethylphenyl)-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16987578
2-[(E)-2-(furan-2-yl)ethenyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 16999920
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine (CID 82359465) is 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine is CNc1nc2ccccc2n1CCOc1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine?
The InChIKey is NMFNHRMVKALJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-18-17-19-15-5-3-4-6-16(15)20(17)11-12-22-14-9-7-13(21-2)8-10-14/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine?
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine is sourced from PubChem (CID 82359465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).