1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine

C16H24N4O — CID 106563286

IUPAC1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCCc1ccncc1
InChIInChI=1S/C16H24N4O/c1-3-21-12-4-11-20-13-14(2)19-16(20)18-10-7-15-5-8-17-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyAAFMPVMLDODKQF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds9

About 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine (PubChem CID 106563286) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
PubChem CID106563286
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCCc1ccncc1
InChIInChI=1S/C16H24N4O/c1-3-21-12-4-11-20-13-14(2)19-16(20)18-10-7-15-5-8-17-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19)
InChIKeyAAFMPVMLDODKQF-UHFFFAOYSA-N
XLogP2.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine (CID 106563286) is 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine is CCOCCCn1cc(C)nc1NCCc1ccncc1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine?
The InChIKey is AAFMPVMLDODKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-21-12-4-11-20-13-14(2)19-16(20)18-10-7-15-5-8-17-9-6-15/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106563286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).