5-(4-methoxyphenyl)-1-octylimidazol-2-amine

C18H27N3O — CID 50941070

IUPAC5-(4-methoxyphenyl)-1-octylimidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccc(OC)cc2)cnc1N
InChIInChI=1S/C18H27N3O/c1-3-4-5-6-7-8-13-21-17(14-20-18(21)19)15-9-11-16(22-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H2,19,20)
InChIKeyPNSXOFVBTIGWKO-UHFFFAOYSA-N
MW301.43 g/mol
LogP4.50
Rot. Bonds9

About 5-(4-methoxyphenyl)-1-octylimidazol-2-amine

5-(4-methoxyphenyl)-1-octylimidazol-2-amine (PubChem CID 50941070) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-octylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-octylimidazol-2-amine
PubChem CID50941070
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name5-(4-methoxyphenyl)-1-octylimidazol-2-amine
SMILESCCCCCCCCn1c(-c2ccc(OC)cc2)cnc1N
InChIInChI=1S/C18H27N3O/c1-3-4-5-6-7-8-13-21-17(14-20-18(21)19)15-9-11-16(22-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H2,19,20)
InChIKeyPNSXOFVBTIGWKO-UHFFFAOYSA-N
XLogP4.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.50
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

5-(4-chlorophenyl)-1-decylimidazol-2-amine
CID 50941029
5-(4-chlorophenyl)-1-tetradecylimidazol-2-amine
CID 50941055
5-(4-phenylphenyl)-1-undecylimidazol-2-amine
CID 50941063
5-phenyl-1-tridecylimidazol-2-amine
CID 50941022
1-pentyl-5-phenylimidazol-2-amine
CID 6917245
9-decyl-2,3,6,7-tetrakis(4-methoxyphenyl)carbazole
CID 122366143
3-butyl-5-(4-methoxyphenyl)-2-methylimidazol-4-amine
CID 55047732
2-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
CID 162403536
3-hexyl-5-(4-methoxyphenyl)-1-methylpyrazole
CID 135066490
N-(4-fluorophenyl)-3-hexyl-4-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 44761956
1-methoxy-4-tetradecoxybenzene
CID 91712423
1-hexyl-5-methoxy-2-(4-phenylphenyl)benzimidazole
CID 134083855

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-octylimidazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-1-octylimidazol-2-amine (CID 50941070) is 5-(4-methoxyphenyl)-1-octylimidazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-octylimidazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-1-octylimidazol-2-amine is CCCCCCCCn1c(-c2ccc(OC)cc2)cnc1N.
What is the InChIKey of 5-(4-methoxyphenyl)-1-octylimidazol-2-amine?
The InChIKey is PNSXOFVBTIGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-4-5-6-7-8-13-21-17(14-20-18(21)19)15-9-11-16(22-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H2,19,20).
What are the key properties of 5-(4-methoxyphenyl)-1-octylimidazol-2-amine?
5-(4-methoxyphenyl)-1-octylimidazol-2-amine has a molecular weight of 301.43 g/mol, XLogP of 4.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-octylimidazol-2-amine is sourced from PubChem (CID 50941070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).