1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine

C17H25N3O — CID 106563235

IUPAC1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cccc(C)c1
InChIInChI=1S/C17H25N3O/c1-4-21-10-6-9-20-13-15(3)19-17(20)18-12-16-8-5-7-14(2)11-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,18,19)
InChIKeyNMTOLLNETALTDU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.54
Rot. Bonds8

About 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine (PubChem CID 106563235) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
PubChem CID106563235
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cccc(C)c1
InChIInChI=1S/C17H25N3O/c1-4-21-10-6-9-20-13-15(3)19-17(20)18-12-16-8-5-7-14(2)11-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,18,19)
InChIKeyNMTOLLNETALTDU-UHFFFAOYSA-N
XLogP3.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 106565604
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563088
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
CID 106575849
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583088
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine (CID 106563235) is 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine is CCOCCCn1cc(C)nc1NCc1cccc(C)c1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine?
The InChIKey is NMTOLLNETALTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-21-10-6-9-20-13-15(3)19-17(20)18-12-16-8-5-7-14(2)11-16/h5,7-8,11,13H,4,6,9-10,12H2,1-3H3,(H,18,19).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106563235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).