N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine

C17H25N3O — CID 106569642

IUPACN-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(OCCC)cc1
InChIInChI=1S/C17H25N3O/c1-4-6-11-18-17-19-14(3)13-20(17)15-7-9-16(10-8-15)21-12-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyNFDQDXDTCKIEQM-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.18
Rot. Bonds8

About N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine

N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine (PubChem CID 106569642) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
PubChem CID106569642
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1ccc(OCCC)cc1
InChIInChI=1S/C17H25N3O/c1-4-6-11-18-17-19-14(3)13-20(17)15-7-9-16(10-8-15)21-12-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyNFDQDXDTCKIEQM-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
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-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-cyclopropyl-1-(4-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106555778
1,4-dimethyl-N-(3-propoxypropyl)imidazol-2-amine
CID 106578559
1-(3-chloro-4-methylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106555469
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-(3,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559215
1-(4-bromo-3-chlorophenyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 107618219
4-methyl-N-(3-methylsulfinylpropyl)-1-phenylimidazol-2-amine
CID 106580561
4-methyl-1-phenyl-N-(3-pyrazol-1-ylpropyl)imidazol-2-amine
CID 106579674
4-butoxy-N-butylaniline
CID 15112153

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The IUPAC name of N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine (CID 106569642) is N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The canonical SMILES for N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine is CCCCNc1nc(C)cn1-c1ccc(OCCC)cc1.
What is the InChIKey of N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
The InChIKey is NFDQDXDTCKIEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-6-11-18-17-19-14(3)13-20(17)15-7-9-16(10-8-15)21-12-5-2/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine?
N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-1-(4-propoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106569642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).