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

C16H24ClN3 — CID 162666154

IUPAC1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(CCc2ccccc2)nc1N.Cl
InChIInChI=1S/C16H23N3.ClH/c1-2-3-7-12-19-13-15(18-16(19)17)11-10-14-8-5-4-6-9-14;/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H2,17,18);1H
InChIKeyFNCUAPUWKXGNRD-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.86
Rot. Bonds7

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

1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride (PubChem CID 162666154) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
PubChem CID162666154
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride
SMILESCCCCCn1cc(CCc2ccccc2)nc1N.Cl
InChIInChI=1S/C16H23N3.ClH/c1-2-3-7-12-19-13-15(18-16(19)17)11-10-14-8-5-4-6-9-14;/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H2,17,18);1H
InChIKeyFNCUAPUWKXGNRD-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.86
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 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride?
The IUPAC name of 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride (CID 162666154) is 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride.
What is the SMILES notation for 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride?
The canonical SMILES for 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride is CCCCCn1cc(CCc2ccccc2)nc1N.Cl.
What is the InChIKey of 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride?
The InChIKey is FNCUAPUWKXGNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3.ClH/c1-2-3-7-12-19-13-15(18-16(19)17)11-10-14-8-5-4-6-9-14;/h4-6,8-9,13H,2-3,7,10-12H2,1H3,(H2,17,18);1H.
What are the key properties of 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride?
1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-(2-phenylethyl)imidazol-2-amine;hydrochloride is sourced from PubChem (CID 162666154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).