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

C17H18N4 — CID 114716022

IUPAC3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCc1ccc(-n2cncc2-c2cccnc2N)cc1
InChIInChI=1S/C17H18N4/c1-2-4-13-6-8-14(9-7-13)21-12-19-11-16(21)15-5-3-10-20-17(15)18/h3,5-12H,2,4H2,1H3,(H2,18,20)
InChIKeyNGDDVVZBKSUTKP-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.47
Rot. Bonds4

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

3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114716022) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114716022
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCc1ccc(-n2cncc2-c2cccnc2N)cc1
InChIInChI=1S/C17H18N4/c1-2-4-13-6-8-14(9-7-13)21-12-19-11-16(21)15-5-3-10-20-17(15)18/h3,5-12H,2,4H2,1H3,(H2,18,20)
InChIKeyNGDDVVZBKSUTKP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-ethoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716275
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
3-[3-(1H-pyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114717949
3-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720067
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114720343
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-[3-(4-propylphenyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 170204603
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]pyridin-2-amine
CID 114720988
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine (CID 114716022) is 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine is CCCc1ccc(-n2cncc2-c2cccnc2N)cc1.
What is the InChIKey of 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is NGDDVVZBKSUTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-4-13-6-8-14(9-7-13)21-12-19-11-16(21)15-5-3-10-20-17(15)18/h3,5-12H,2,4H2,1H3,(H2,18,20).
What are the key properties of 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine?
3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propylphenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114716022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).