3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine

C17H18N4 — CID 114722289

IUPAC3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1cccnc1N)c1ccccc1
InChIInChI=1S/C17H18N4/c1-13(14-6-3-2-4-7-14)11-21-12-19-10-16(21)15-8-5-9-20-17(15)18/h2-10,12-13H,11H2,1H3,(H2,18,20)
InChIKeyVZBPZNBIYOAPJA-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.33
Rot. Bonds4

About 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine

3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114722289) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114722289
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
SMILESCC(Cn1cncc1-c1cccnc1N)c1ccccc1
InChIInChI=1S/C17H18N4/c1-13(14-6-3-2-4-7-14)11-21-12-19-10-16(21)15-8-5-9-20-17(15)18/h2-10,12-13H,11H2,1H3,(H2,18,20)
InChIKeyVZBPZNBIYOAPJA-UHFFFAOYSA-N
XLogP3.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114720176
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine (CID 114722289) is 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine is CC(Cn1cncc1-c1cccnc1N)c1ccccc1.
What is the InChIKey of 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is VZBPZNBIYOAPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13(14-6-3-2-4-7-14)11-21-12-19-10-16(21)15-8-5-9-20-17(15)18/h2-10,12-13H,11H2,1H3,(H2,18,20).
What are the key properties of 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).