4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride

C14H19Cl2N3 — CID 162676865

IUPAC4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2cccc(Cl)c2)nc1N.Cl
InChIInChI=1S/C14H18ClN3.ClH/c1-2-3-4-8-18-10-13(17-14(18)16)11-6-5-7-12(15)9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,16,17);1H
InChIKeySDIYDPJUJDRIHT-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.40
Rot. Bonds5

About 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride

4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 162676865) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID162676865
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2cccc(Cl)c2)nc1N.Cl
InChIInChI=1S/C14H18ClN3.ClH/c1-2-3-4-8-18-10-13(17-14(18)16)11-6-5-7-12(15)9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,16,17);1H
InChIKeySDIYDPJUJDRIHT-UHFFFAOYSA-N
XLogP4.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.40
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 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride (CID 162676865) is 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2cccc(Cl)c2)nc1N.Cl.
What is the InChIKey of 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is SDIYDPJUJDRIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3.ClH/c1-2-3-4-8-18-10-13(17-14(18)16)11-6-5-7-12(15)9-11;/h5-7,9-10H,2-4,8H2,1H3,(H2,16,17);1H.
What are the key properties of 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride?
4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 300.23 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 162676865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).