N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine

C13H19N3O — CID 115259070

IUPACN-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCOCN(C)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O/c1-15(10-17-3)7-6-11-4-5-13-12(8-11)14-9-16(13)2/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyOCLRJXYQAUBMOG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds5

About N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine

N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine (PubChem CID 115259070) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
PubChem CID115259070
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCOCN(C)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C13H19N3O/c1-15(10-17-3)7-6-11-4-5-13-12(8-11)14-9-16(13)2/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyOCLRJXYQAUBMOG-UHFFFAOYSA-N
XLogP1.65
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242609
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454
3-amino-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115153099
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
2,2,2-trifluoro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115257973

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The IUPAC name of N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine (CID 115259070) is N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine is COCN(C)CCc1ccc2c(c1)ncn2C.
What is the InChIKey of N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
The InChIKey is OCLRJXYQAUBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(10-17-3)7-6-11-4-5-13-12(8-11)14-9-16(13)2/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine?
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 115259070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).