1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine

C17H27N5 — CID 10518421

IUPAC1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(N2CCN(CCCN3CCN=C3N)CC2)cc1
InChIInChI=1S/C17H27N5/c1-15-3-5-16(6-4-15)21-13-11-20(12-14-21)8-2-9-22-10-7-19-17(22)18/h3-6H,2,7-14H2,1H3,(H2,18,19)
InChIKeyITZOWMXLQUPSSA-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.14
Rot. Bonds5

About 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine

1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine (PubChem CID 10518421) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine
PubChem CID10518421
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine
SMILESCc1ccc(N2CCN(CCCN3CCN=C3N)CC2)cc1
InChIInChI=1S/C17H27N5/c1-15-3-5-16(6-4-15)21-13-11-20(12-14-21)8-2-9-22-10-7-19-17(22)18/h3-6H,2,7-14H2,1H3,(H2,18,19)
InChIKeyITZOWMXLQUPSSA-UHFFFAOYSA-N
XLogP1.14
TPSA48.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine (CID 10518421) is 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine is Cc1ccc(N2CCN(CCCN3CCN=C3N)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ITZOWMXLQUPSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-15-3-5-16(6-4-15)21-13-11-20(12-14-21)8-2-9-22-10-7-19-17(22)18/h3-6H,2,7-14H2,1H3,(H2,18,19).
What are the key properties of 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine?
1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 301.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methylphenyl)piperazin-1-yl]propyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 10518421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).