5-(4-chlorophenyl)-1-nonylimidazol-2-amine

C18H26ClN3 — CID 50941028

IUPAC5-(4-chlorophenyl)-1-nonylimidazol-2-amine
SMILESCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C18H26ClN3/c1-2-3-4-5-6-7-8-13-22-17(14-21-18(22)20)15-9-11-16(19)12-10-15/h9-12,14H,2-8,13H2,1H3,(H2,20,21)
InChIKeyMFSPWYLNSRLUEJ-UHFFFAOYSA-N
MW319.88 g/mol
LogP5.54
Rot. Bonds9

About 5-(4-chlorophenyl)-1-nonylimidazol-2-amine

5-(4-chlorophenyl)-1-nonylimidazol-2-amine (PubChem CID 50941028) has the molecular formula C18H26ClN3 and a molecular weight of 319.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-nonylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-nonylimidazol-2-amine
PubChem CID50941028
Molecular FormulaC18H26ClN3
Molecular Weight319.88 g/mol
Exact Mass319.18
IUPAC Name5-(4-chlorophenyl)-1-nonylimidazol-2-amine
SMILESCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C18H26ClN3/c1-2-3-4-5-6-7-8-13-22-17(14-21-18(22)20)15-9-11-16(19)12-10-15/h9-12,14H,2-8,13H2,1H3,(H2,20,21)
InChIKeyMFSPWYLNSRLUEJ-UHFFFAOYSA-N
XLogP5.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.88
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-nonylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-nonylimidazol-2-amine (CID 50941028) is 5-(4-chlorophenyl)-1-nonylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-nonylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-nonylimidazol-2-amine is CCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-nonylimidazol-2-amine?
The InChIKey is MFSPWYLNSRLUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3/c1-2-3-4-5-6-7-8-13-22-17(14-21-18(22)20)15-9-11-16(19)12-10-15/h9-12,14H,2-8,13H2,1H3,(H2,20,21).
What are the key properties of 5-(4-chlorophenyl)-1-nonylimidazol-2-amine?
5-(4-chlorophenyl)-1-nonylimidazol-2-amine has a molecular weight of 319.88 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-nonylimidazol-2-amine is sourced from PubChem (CID 50941028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).