1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

C17H19N3O — CID 62446861

IUPAC1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCn1cnc2ccccc21
InChIInChI=1S/C17H19N3O/c1-18-12-14-6-2-5-9-17(14)21-11-10-20-13-19-15-7-3-4-8-16(15)20/h2-9,13,18H,10-12H2,1H3
InChIKeyAFZZJHNUUCEIQE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62446861) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62446861
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1OCCn1cnc2ccccc21
InChIInChI=1S/C17H19N3O/c1-18-12-14-6-2-5-9-17(14)21-11-10-20-13-19-15-7-3-4-8-16(15)20/h2-9,13,18H,10-12H2,1H3
InChIKeyAFZZJHNUUCEIQE-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propoxyphenyl)methyl]benzimidazole
CID 15840178
1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62446862
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[4-(2-methoxyphenoxy)butyl]benzimidazole
CID 16994969
1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62449080
1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
CID 71494815
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[4-(2-bromophenoxy)butyl]benzimidazole;hydrochloride
CID 2965821
N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62440443
1-[2-(4-bromo-2-chlorophenoxy)ethyl]benzimidazole
CID 1262324

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62446861) is 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccccc1OCCn1cnc2ccccc21.
What is the InChIKey of 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is AFZZJHNUUCEIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-12-14-6-2-5-9-17(14)21-11-10-20-13-19-15-7-3-4-8-16(15)20/h2-9,13,18H,10-12H2,1H3.
What are the key properties of 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62446861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).