4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride

C15H22ClN3 — CID 162674197

IUPAC4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(C)cc2)nc1N.Cl
InChIInChI=1S/C15H21N3.ClH/c1-3-4-5-10-18-11-14(17-15(18)16)13-8-6-12(2)7-9-13;/h6-9,11H,3-5,10H2,1-2H3,(H2,16,17);1H
InChIKeyRCEISENKDUYFOH-UHFFFAOYSA-N
MW279.82 g/mol
LogP4.05
Rot. Bonds5

About 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride

4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 162674197) has the molecular formula C15H22ClN3 and a molecular weight of 279.82 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID162674197
Molecular FormulaC15H22ClN3
Molecular Weight279.82 g/mol
Exact Mass279.15
IUPAC Name4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(C)cc2)nc1N.Cl
InChIInChI=1S/C15H21N3.ClH/c1-3-4-5-10-18-11-14(17-15(18)16)13-8-6-12(2)7-9-13;/h6-9,11H,3-5,10H2,1-2H3,(H2,16,17);1H
InChIKeyRCEISENKDUYFOH-UHFFFAOYSA-N
XLogP4.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.82
LogP ≤ 54.05
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-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride (CID 162674197) is 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2ccc(C)cc2)nc1N.Cl.
What is the InChIKey of 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is RCEISENKDUYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3.ClH/c1-3-4-5-10-18-11-14(17-15(18)16)13-8-6-12(2)7-9-13;/h6-9,11H,3-5,10H2,1-2H3,(H2,16,17);1H.
What are the key properties of 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 279.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 162674197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).