1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

C17H19N3O — CID 62446862

IUPAC1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-18-12-14-5-4-6-15(11-14)21-10-9-20-13-19-16-7-2-3-8-17(16)20/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyUVIWZGRHHXZKAZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds6

About 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62446862) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62446862
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCn2cnc3ccccc32)c1
InChIInChI=1S/C17H19N3O/c1-18-12-14-5-4-6-15(11-14)21-10-9-20-13-19-16-7-2-3-8-17(16)20/h2-8,11,13,18H,9-10,12H2,1H3
InChIKeyUVIWZGRHHXZKAZ-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-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
1-[[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]methyl]-2-methylbenzimidazole
CID 90039514
1-[3-(3-methylphenoxy)propyl]benzimidazole
CID 2150317
2-[3-(benzimidazol-1-ylmethyl)phenoxy]ethanol;ethane
CID 142063366
1-[2-(3-bromophenoxy)ethyl]benzimidazole;oxalic acid
CID 2966083
N-methyl-1-[3-[2-[(1-methyl-1,2,4-triazol-3-yl)oxy]ethoxy]phenyl]methanamine
CID 106598180
N-methyl-1-[3-[2-(3,4,5-trimethylpyrazol-1-yl)ethoxy]phenyl]methanamine
CID 62442521
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]benzimidazole
CID 934444
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62446862) is 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCn2cnc3ccccc32)c1.
What is the InChIKey of 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is UVIWZGRHHXZKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-18-12-14-5-4-6-15(11-14)21-10-9-20-13-19-16-7-2-3-8-17(16)20/h2-8,11,13,18H,9-10,12H2,1H3.
What are the key properties of 1-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[3-[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-[3-[2-(benzimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62446862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).