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

C16H16N4 — CID 114717172

IUPAC4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCc1cccc(-n2cncc2-c2ccnc(N)c2)c1
InChIInChI=1S/C16H16N4/c1-2-12-4-3-5-14(8-12)20-11-18-10-15(20)13-6-7-19-16(17)9-13/h3-11H,2H2,1H3,(H2,17,19)
InChIKeyHIBGPCXSYWQHIP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.08
Rot. Bonds3

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

4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114717172) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114717172
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
SMILESCCc1cccc(-n2cncc2-c2ccnc(N)c2)c1
InChIInChI=1S/C16H16N4/c1-2-12-4-3-5-14(8-12)20-11-18-10-15(20)13-6-7-19-16(17)9-13/h3-11H,2H2,1H3,(H2,17,19)
InChIKeyHIBGPCXSYWQHIP-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[5-(2-amino-4-pyridinyl)imidazol-1-yl]benzonitrile
CID 114717129
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
4-[3-(3-bromo-4-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114720752
4-[3-(2-methyl-3-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114721081
4-[3-(2-methoxyphenyl)imidazol-4-yl]pyridin-2-amine
CID 114716273
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
[3-[5-(1-propylpyrazol-4-yl)imidazol-1-yl]phenyl]methanamine
CID 103573751
4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114722647

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine (CID 114717172) is 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine is CCc1cccc(-n2cncc2-c2ccnc(N)c2)c1.
What is the InChIKey of 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is HIBGPCXSYWQHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-12-4-3-5-14(8-12)20-11-18-10-15(20)13-6-7-19-16(17)9-13/h3-11H,2H2,1H3,(H2,17,19).
What are the key properties of 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine?
4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114717172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).