4-(3-methoxyphenyl)-1-pentylimidazol-2-amine

C15H21N3O — CID 162671245

IUPAC4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1cc(-c2cccc(OC)c2)nc1N
InChIInChI=1S/C15H21N3O/c1-3-4-5-9-18-11-14(17-15(18)16)12-7-6-8-13(10-12)19-2/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,17)
InChIKeyQMLQXHMJYCMFDJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds6

About 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine

4-(3-methoxyphenyl)-1-pentylimidazol-2-amine (PubChem CID 162671245) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
PubChem CID162671245
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
SMILESCCCCCn1cc(-c2cccc(OC)c2)nc1N
InChIInChI=1S/C15H21N3O/c1-3-4-5-9-18-11-14(17-15(18)16)12-7-6-8-13(10-12)19-2/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,17)
InChIKeyQMLQXHMJYCMFDJ-UHFFFAOYSA-N
XLogP3.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
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

4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
2-(3-methoxyphenyl)-1-pentylbenzimidazole
CID 17001673
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine?
The IUPAC name of 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine (CID 162671245) is 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine.
What is the SMILES notation for 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine?
The canonical SMILES for 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine is CCCCCn1cc(-c2cccc(OC)c2)nc1N.
What is the InChIKey of 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine?
The InChIKey is QMLQXHMJYCMFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-5-9-18-11-14(17-15(18)16)12-7-6-8-13(10-12)19-2/h6-8,10-11H,3-5,9H2,1-2H3,(H2,16,17).
What are the key properties of 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine?
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-1-pentylimidazol-2-amine is sourced from PubChem (CID 162671245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).