2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

C16H18N4 — CID 105146117

IUPAC2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cn1cnc2ccccc21)c1ccc(C)nc1
InChIInChI=1S/C16H18N4/c1-12-7-8-13(9-18-12)15(17-2)10-20-11-19-14-5-3-4-6-16(14)20/h3-9,11,15,17H,10H2,1-2H3
InChIKeyLZXDJXOTOLJQBM-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.70
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 105146117) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID105146117
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cn1cnc2ccccc21)c1ccc(C)nc1
InChIInChI=1S/C16H18N4/c1-12-7-8-13(9-18-12)15(17-2)10-20-11-19-14-5-3-4-6-16(14)20/h3-9,11,15,17H,10H2,1-2H3
InChIKeyLZXDJXOTOLJQBM-UHFFFAOYSA-N
XLogP2.70
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065
2-(benzimidazol-1-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 105143106
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
[2-(benzimidazol-1-yl)-1-(5-methylthiophen-3-yl)ethyl]hydrazine
CID 105313179
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-(benzimidazol-1-yl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105098775
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
[2-(benzimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105292476
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 105146117) is 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is CNC(Cn1cnc2ccccc21)c1ccc(C)nc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is LZXDJXOTOLJQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-7-8-13(9-18-12)15(17-2)10-20-11-19-14-5-3-4-6-16(14)20/h3-9,11,15,17H,10H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105146117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).