4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine

C16H23N3O — CID 106578539

IUPAC4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-11-20-12-7-10-19-13-14(2)17-16(19)18-15-8-5-4-6-9-15/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyCGWUBPUFBMIKOQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.75
Rot. Bonds8

About 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine

4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine (PubChem CID 106578539) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
PubChem CID106578539
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine
SMILESCCCOCCCn1cc(C)nc1Nc1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-11-20-12-7-10-19-13-14(2)17-16(19)18-15-8-5-4-6-9-15/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18)
InChIKeyCGWUBPUFBMIKOQ-UHFFFAOYSA-N
XLogP3.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.75
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

1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
CID 106582506
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590
4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
CID 106572558
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methyl-N-phenylimidazol-2-amine
CID 106570835
4-methyl-1-(2-methylsulfonylethyl)-N-phenylimidazol-2-amine
CID 106563436
1-(3-methoxypropyl)-4-methyl-N-(4-propan-2-ylphenyl)imidazol-2-amine
CID 106557357
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
CID 106575849

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine?
The IUPAC name of 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine (CID 106578539) is 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine is CCCOCCCn1cc(C)nc1Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine?
The InChIKey is CGWUBPUFBMIKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-11-20-12-7-10-19-13-14(2)17-16(19)18-15-8-5-4-6-9-15/h4-6,8-9,13H,3,7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine?
4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-1-(3-propoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).