N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine

C11H15N3O — CID 82706490

IUPACN-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCONC(C)c1nc2ccccc2n1C
InChIInChI=1S/C11H15N3O/c1-8(13-15-3)11-12-9-6-4-5-7-10(9)14(11)2/h4-8,13H,1-3H3
InChIKeyVNMOVABWAQJLAB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.79
Rot. Bonds3

About N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine

N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine (PubChem CID 82706490) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
PubChem CID82706490
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine
SMILESCONC(C)c1nc2ccccc2n1C
InChIInChI=1S/C11H15N3O/c1-8(13-15-3)11-12-9-6-4-5-7-10(9)14(11)2/h4-8,13H,1-3H3
InChIKeyVNMOVABWAQJLAB-UHFFFAOYSA-N
XLogP1.79
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]butan-1-amine
CID 43192433
N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 43823447
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
2,6-difluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43123935

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine?
The IUPAC name of N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine (CID 82706490) is N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine?
The canonical SMILES for N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine is CONC(C)c1nc2ccccc2n1C.
What is the InChIKey of N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine?
The InChIKey is VNMOVABWAQJLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(13-15-3)11-12-9-6-4-5-7-10(9)14(11)2/h4-8,13H,1-3H3.
What are the key properties of N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine?
N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(1-methylbenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82706490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).