4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride

C16H24ClN3 — CID 162675687

IUPAC4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(C)cc2C)nc1N.Cl
InChIInChI=1S/C16H23N3.ClH/c1-4-5-6-9-19-11-15(18-16(19)17)14-8-7-12(2)10-13(14)3;/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18);1H
InChIKeyKZIGCHCMOSAYIV-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.36
Rot. Bonds5

About 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride

4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 162675687) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID162675687
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(-c2ccc(C)cc2C)nc1N.Cl
InChIInChI=1S/C16H23N3.ClH/c1-4-5-6-9-19-11-15(18-16(19)17)14-8-7-12(2)10-13(14)3;/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18);1H
InChIKeyKZIGCHCMOSAYIV-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-methylphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162674197
2-(2-amino-1-pentylimidazol-4-yl)phenol
CID 162673769
1-pentyl-4-(4-phenylphenyl)imidazol-2-amine;hydrochloride
CID 162674520
4-(4-fluorophenyl)-1-pentylimidazol-2-amine
CID 162669680
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine;hydrochloride
CID 162671244
1-pentyl-4-pyridin-3-ylimidazol-2-amine
CID 162675846
4-(3-methoxyphenyl)-1-pentylimidazol-2-amine
CID 162671245
3-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]propanoic acid
CID 82300508
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
2-[4-(2,4-dimethylphenyl)-2-methylimidazol-1-yl]acetic acid
CID 82294212
2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridin-6-amine
CID 63945667
6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 82294357

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride (CID 162675687) is 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1cc(-c2ccc(C)cc2C)nc1N.Cl.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is KZIGCHCMOSAYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.ClH/c1-4-5-6-9-19-11-15(18-16(19)17)14-8-7-12(2)10-13(14)3;/h7-8,10-11H,4-6,9H2,1-3H3,(H2,17,18);1H.
What are the key properties of 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride?
4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 162675687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).