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

C19H28ClN3 — CID 50941029

IUPAC5-(4-chlorophenyl)-1-decylimidazol-2-amine
SMILESCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C19H28ClN3/c1-2-3-4-5-6-7-8-9-14-23-18(15-22-19(23)21)16-10-12-17(20)13-11-16/h10-13,15H,2-9,14H2,1H3,(H2,21,22)
InChIKeySXRMVDFFZXHPII-UHFFFAOYSA-N
MW333.91 g/mol
LogP5.93
Rot. Bonds10

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

5-(4-chlorophenyl)-1-decylimidazol-2-amine (PubChem CID 50941029) has the molecular formula C19H28ClN3 and a molecular weight of 333.91 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-decylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-decylimidazol-2-amine
PubChem CID50941029
Molecular FormulaC19H28ClN3
Molecular Weight333.91 g/mol
Exact Mass333.20
IUPAC Name5-(4-chlorophenyl)-1-decylimidazol-2-amine
SMILESCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C19H28ClN3/c1-2-3-4-5-6-7-8-9-14-23-18(15-22-19(23)21)16-10-12-17(20)13-11-16/h10-13,15H,2-9,14H2,1H3,(H2,21,22)
InChIKeySXRMVDFFZXHPII-UHFFFAOYSA-N
XLogP5.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.91
LogP ≤ 55.93
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-decylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-decylimidazol-2-amine (CID 50941029) is 5-(4-chlorophenyl)-1-decylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-decylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-decylimidazol-2-amine is CCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-decylimidazol-2-amine?
The InChIKey is SXRMVDFFZXHPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3/c1-2-3-4-5-6-7-8-9-14-23-18(15-22-19(23)21)16-10-12-17(20)13-11-16/h10-13,15H,2-9,14H2,1H3,(H2,21,22).
What are the key properties of 5-(4-chlorophenyl)-1-decylimidazol-2-amine?
5-(4-chlorophenyl)-1-decylimidazol-2-amine has a molecular weight of 333.91 g/mol, XLogP of 5.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-decylimidazol-2-amine is sourced from PubChem (CID 50941029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).