3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine

C16H16N4 — CID 114716960

IUPAC3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1ccc(Cn2cncc2-c2cnccc2N)cc1
InChIInChI=1S/C16H16N4/c1-12-2-4-13(5-3-12)10-20-11-19-9-16(20)14-8-18-7-6-15(14)17/h2-9,11H,10H2,1H3,(H2,17,18)
InChIKeyWTDUFJXBNOIXLW-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.88
Rot. Bonds3

About 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine

3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114716960) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114716960
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1ccc(Cn2cncc2-c2cnccc2N)cc1
InChIInChI=1S/C16H16N4/c1-12-2-4-13(5-3-12)10-20-11-19-9-16(20)14-8-18-7-6-15(14)17/h2-9,11H,10H2,1H3,(H2,17,18)
InChIKeyWTDUFJXBNOIXLW-UHFFFAOYSA-N
XLogP2.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine (CID 114716960) is 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine is Cc1ccc(Cn2cncc2-c2cnccc2N)cc1.
What is the InChIKey of 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is WTDUFJXBNOIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-2-4-13(5-3-12)10-20-11-19-9-16(20)14-8-18-7-6-15(14)17/h2-9,11H,10H2,1H3,(H2,17,18).
What are the key properties of 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 264.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114716960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).