3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine

C16H16N4 — CID 114717015

IUPAC3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCc1ccc(-n2cncc2-c2cnccc2N)cc1C
InChIInChI=1S/C16H16N4/c1-11-3-4-13(7-12(11)2)20-10-19-9-16(20)14-8-18-6-5-15(14)17/h3-10H,1-2H3,(H2,17,18)
InChIKeyBXCJUTZOFLZHGC-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.13
Rot. Bonds2

About 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine

3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 114717015) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID114717015
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCc1ccc(-n2cncc2-c2cnccc2N)cc1C
InChIInChI=1S/C16H16N4/c1-11-3-4-13(7-12(11)2)20-10-19-9-16(20)14-8-18-6-5-15(14)17/h3-10H,1-2H3,(H2,17,18)
InChIKeyBXCJUTZOFLZHGC-UHFFFAOYSA-N
XLogP3.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717514
3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721634
3-[3-(2,5-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716803
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114720772
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848
3-[3-(6-ethoxy-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721261
3-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
CID 107649079
3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114716552

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine (CID 114717015) is 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine is Cc1ccc(-n2cncc2-c2cnccc2N)cc1C.
What is the InChIKey of 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is BXCJUTZOFLZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-11-3-4-13(7-12(11)2)20-10-19-9-16(20)14-8-18-6-5-15(14)17/h3-10H,1-2H3,(H2,17,18).
What are the key properties of 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).