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

C20H30ClN3 — CID 50941030

IUPAC5-(4-chlorophenyl)-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C20H30ClN3/c1-2-3-4-5-6-7-8-9-10-15-24-19(16-23-20(24)22)17-11-13-18(21)14-12-17/h11-14,16H,2-10,15H2,1H3,(H2,22,23)
InChIKeyNSIJYQVKLFNWDA-UHFFFAOYSA-N
MW347.93 g/mol
LogP6.32
Rot. Bonds11

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

5-(4-chlorophenyl)-1-undecylimidazol-2-amine (PubChem CID 50941030) has the molecular formula C20H30ClN3 and a molecular weight of 347.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-undecylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-undecylimidazol-2-amine
PubChem CID50941030
Molecular FormulaC20H30ClN3
Molecular Weight347.93 g/mol
Exact Mass347.21
IUPAC Name5-(4-chlorophenyl)-1-undecylimidazol-2-amine
SMILESCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C20H30ClN3/c1-2-3-4-5-6-7-8-9-10-15-24-19(16-23-20(24)22)17-11-13-18(21)14-12-17/h11-14,16H,2-10,15H2,1H3,(H2,22,23)
InChIKeyNSIJYQVKLFNWDA-UHFFFAOYSA-N
XLogP6.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 56.32
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-undecylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-undecylimidazol-2-amine (CID 50941030) is 5-(4-chlorophenyl)-1-undecylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-undecylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-undecylimidazol-2-amine is CCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-undecylimidazol-2-amine?
The InChIKey is NSIJYQVKLFNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3/c1-2-3-4-5-6-7-8-9-10-15-24-19(16-23-20(24)22)17-11-13-18(21)14-12-17/h11-14,16H,2-10,15H2,1H3,(H2,22,23).
What are the key properties of 5-(4-chlorophenyl)-1-undecylimidazol-2-amine?
5-(4-chlorophenyl)-1-undecylimidazol-2-amine has a molecular weight of 347.93 g/mol, XLogP of 6.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-undecylimidazol-2-amine is sourced from PubChem (CID 50941030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).