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

C16H24N4O — CID 106563088

IUPACN-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CCc1cccnc1
InChIInChI=1S/C16H24N4O/c1-3-21-11-5-9-18-16-19-14(2)13-20(16)10-7-15-6-4-8-17-12-15/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyBOXMQLOVUOGYBF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds9

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

N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine (PubChem CID 106563088) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
PubChem CID106563088
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CCc1cccnc1
InChIInChI=1S/C16H24N4O/c1-3-21-11-5-9-18-16-19-14(2)13-20(16)10-7-15-6-4-8-17-12-15/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,18,19)
InChIKeyBOXMQLOVUOGYBF-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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Related Compounds

1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine (CID 106563088) is N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1CCc1cccnc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine?
The InChIKey is BOXMQLOVUOGYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-21-11-5-9-18-16-19-14(2)13-20(16)10-7-15-6-4-8-17-12-15/h4,6,8,12-13H,3,5,7,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-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 N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106563088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).