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

C16H24N4O — CID 106562010

IUPACN-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(C)c1ccncc1
InChIInChI=1S/C16H24N4O/c1-4-21-11-5-8-18-16-19-13(2)12-20(16)14(3)15-6-9-17-10-7-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,18,19)
InChIKeyWIFOTESPLCQKSO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.03
Rot. Bonds8

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

N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine (PubChem CID 106562010) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
PubChem CID106562010
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(C)c1ccncc1
InChIInChI=1S/C16H24N4O/c1-4-21-11-5-8-18-16-19-13(2)12-20(16)14(3)15-6-9-17-10-7-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,18,19)
InChIKeyWIFOTESPLCQKSO-UHFFFAOYSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.03
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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Related Compounds

N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
CID 106564369
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562252
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine (CID 106562010) is N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1C(C)c1ccncc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine?
The InChIKey is WIFOTESPLCQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-21-11-5-8-18-16-19-13(2)12-20(16)14(3)15-6-9-17-10-7-15/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine has a molecular weight of 288.39 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106562010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).