5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine

C14H18N4O — CID 114722630

IUPAC5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESC=C(C)COCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-16-8-13(18)12-3-4-14(15)17-7-12/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,17)
InChIKeyHJQXEDSOPNPZBB-UHFFFAOYSA-N
MW258.33 g/mol
LogP2.12
Rot. Bonds6

About 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine

5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114722630) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114722630
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC Name5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESC=C(C)COCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-16-8-13(18)12-3-4-14(15)17-7-12/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,17)
InChIKeyHJQXEDSOPNPZBB-UHFFFAOYSA-N
XLogP2.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine (CID 114722630) is 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine is C=C(C)COCCn1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is HJQXEDSOPNPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11(2)9-19-6-5-18-10-16-8-13(18)12-3-4-14(15)17-7-12/h3-4,7-8,10H,1,5-6,9H2,2H3,(H2,15,17).
What are the key properties of 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine?
5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).