1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine

C16H25N3O — CID 103031337

IUPAC1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)Cn1cnc2ccccc21
InChIInChI=1S/C16H25N3O/c1-16(2,20-4)10-9-13(17-3)11-19-12-18-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyYFGXWZDXXLLJBA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.83
Rot. Bonds7

About 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine

1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine (PubChem CID 103031337) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
PubChem CID103031337
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine
SMILESCNC(CCC(C)(C)OC)Cn1cnc2ccccc21
InChIInChI=1S/C16H25N3O/c1-16(2,20-4)10-9-13(17-3)11-19-12-18-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyYFGXWZDXXLLJBA-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzimidazol-1-yl)-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103031480
1-(benzimidazol-1-yl)-3-ethoxy-N-methylpropan-2-amine
CID 105164987
1-(benzimidazol-1-yl)-N-methyl-5-methylsulfonylpentan-2-amine
CID 105112839
1-(benzimidazol-1-yl)-5-ethylsulfonyl-N-methylpentan-2-amine
CID 105152492
[1-(benzimidazol-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105313825
1-(benzimidazol-1-yl)-3-cyclopentyl-N-methylpropan-2-amine
CID 105138856
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258
2-(benzimidazol-1-yl)-N-methyl-1-(3-methylcyclohexyl)ethanamine
CID 105155793
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
2-(benzimidazol-1-yl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 105118530

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine (CID 103031337) is 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine is CNC(CCC(C)(C)OC)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
The InChIKey is YFGXWZDXXLLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,20-4)10-9-13(17-3)11-19-12-18-14-7-5-6-8-15(14)19/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine?
1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-5-methoxy-N,5-dimethylhexan-2-amine is sourced from PubChem (CID 103031337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).