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

C15H20ClN3 — CID 50941025

IUPAC5-(4-chlorophenyl)-1-hexylimidazol-2-amine
SMILESCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C15H20ClN3/c1-2-3-4-5-10-19-14(11-18-15(19)17)12-6-8-13(16)9-7-12/h6-9,11H,2-5,10H2,1H3,(H2,17,18)
InChIKeyGRNMGKRHLKPDDC-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.37
Rot. Bonds6

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

5-(4-chlorophenyl)-1-hexylimidazol-2-amine (PubChem CID 50941025) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-hexylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-hexylimidazol-2-amine
PubChem CID50941025
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name5-(4-chlorophenyl)-1-hexylimidazol-2-amine
SMILESCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C15H20ClN3/c1-2-3-4-5-10-19-14(11-18-15(19)17)12-6-8-13(16)9-7-12/h6-9,11H,2-5,10H2,1H3,(H2,17,18)
InChIKeyGRNMGKRHLKPDDC-UHFFFAOYSA-N
XLogP4.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.37
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-hexylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-hexylimidazol-2-amine (CID 50941025) is 5-(4-chlorophenyl)-1-hexylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-hexylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-hexylimidazol-2-amine is CCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-hexylimidazol-2-amine?
The InChIKey is GRNMGKRHLKPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-2-3-4-5-10-19-14(11-18-15(19)17)12-6-8-13(16)9-7-12/h6-9,11H,2-5,10H2,1H3,(H2,17,18).
What are the key properties of 5-(4-chlorophenyl)-1-hexylimidazol-2-amine?
5-(4-chlorophenyl)-1-hexylimidazol-2-amine has a molecular weight of 277.80 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-hexylimidazol-2-amine is sourced from PubChem (CID 50941025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).