1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine

C15H22N4O2 — CID 106721365

IUPAC1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2nccc(OC)c2OC)cn1
InChIInChI=1S/C15H22N4O2/c1-4-11(16)7-12-8-19(10-18-12)9-13-15(21-3)14(20-2)5-6-17-13/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyWYVQDGASHDDOEW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.62
Rot. Bonds7

About 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine

1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine (PubChem CID 106721365) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
PubChem CID106721365
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1cn(Cc2nccc(OC)c2OC)cn1
InChIInChI=1S/C15H22N4O2/c1-4-11(16)7-12-8-19(10-18-12)9-13-15(21-3)14(20-2)5-6-17-13/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyWYVQDGASHDDOEW-UHFFFAOYSA-N
XLogP1.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721303
1-[1-(pyrimidin-2-ylmethyl)imidazol-4-yl]butan-2-amine
CID 106721431
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]triazol-4-yl]propan-1-amine
CID 106227854
1-[1-[(3-methylphenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721438
1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721337
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721394
1-(3,4-dimethoxy-2-pyridinyl)-2-methylpentan-3-ol
CID 103173777
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]butan-2-amine
CID 106721326
1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721334
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The IUPAC name of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine (CID 106721365) is 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine is CCC(N)Cc1cn(Cc2nccc(OC)c2OC)cn1.
What is the InChIKey of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
The InChIKey is WYVQDGASHDDOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-11(16)7-12-8-19(10-18-12)9-13-15(21-3)14(20-2)5-6-17-13/h5-6,8,10-11H,4,7,9,16H2,1-3H3.
What are the key properties of 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine?
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]imidazol-4-yl]butan-2-amine is sourced from PubChem (CID 106721365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).