1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride

C20H24ClN3 — CID 162674520

IUPAC1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(-c3ccccc3)cc2)nc1N.Cl
InChIInChI=1S/C20H23N3.ClH/c1-2-3-7-14-23-15-19(22-20(23)21)18-12-10-17(11-13-18)16-8-5-4-6-9-16;/h4-6,8-13,15H,2-3,7,14H2,1H3,(H2,21,22);1H
InChIKeyOVYOZZPFSJQGGV-UHFFFAOYSA-N
MW341.89 g/mol
LogP5.41
Rot. Bonds6

About 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride

1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride (PubChem CID 162674520) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride
PubChem CID162674520
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(-c3ccccc3)cc2)nc1N.Cl
InChIInChI=1S/C20H23N3.ClH/c1-2-3-7-14-23-15-19(22-20(23)21)18-12-10-17(11-13-18)16-8-5-4-6-9-16;/h4-6,8-13,15H,2-3,7,14H2,1H3,(H2,21,22);1H
InChIKeyOVYOZZPFSJQGGV-UHFFFAOYSA-N
XLogP5.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.89
LogP ≤ 55.41
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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Related Compounds

4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
1-pentyl-4-pyridin-3-ylimidazol-2-amine
CID 162675846
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
CID 162666154
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162675687
1-hexyl-4-phenylpyrimidin-2-one
CID 171976054
5-(4-phenylphenyl)-1-undecylimidazol-2-amine
CID 50941063

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride?
The IUPAC name of 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride (CID 162674520) is 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride?
The canonical SMILES for 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride is CCCCCn1cc(-c2ccc(-c3ccccc3)cc2)nc1N.Cl.
What is the InChIKey of 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride?
The InChIKey is OVYOZZPFSJQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.ClH/c1-2-3-7-14-23-15-19(22-20(23)21)18-12-10-17(11-13-18)16-8-5-4-6-9-16;/h4-6,8-13,15H,2-3,7,14H2,1H3,(H2,21,22);1H.
What are the key properties of 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride?
1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride is sourced from PubChem (CID 162674520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).