1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride

C20H25ClN4 — CID 10247719

IUPAC1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1
InChIInChI=1S/C20H24N4.ClH/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19;/h1-10,18H,11-16H2,(H,21,22);1H/t18-;/m1./s1
InChIKeyXWQNGPJBPLHHIO-GMUIIQOCSA-N
MW356.90 g/mol
LogP2.65
Rot. Bonds4

About 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride

1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride (PubChem CID 10247719) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
PubChem CID10247719
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC Name1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride
SMILESCl.c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1
InChIInChI=1S/C20H24N4.ClH/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19;/h1-10,18H,11-16H2,(H,21,22);1H/t18-;/m1./s1
InChIKeyXWQNGPJBPLHHIO-GMUIIQOCSA-N
XLogP2.65
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride?
The IUPAC name of 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride (CID 10247719) is 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride?
The canonical SMILES for 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride is Cl.c1ccc(C2=NC[C@H](CN3CCN(c4ccccc4)CC3)N2)cc1.
What is the InChIKey of 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride?
The InChIKey is XWQNGPJBPLHHIO-GMUIIQOCSA-N. The full InChI is InChI=1S/C20H24N4.ClH/c1-3-7-17(8-4-1)20-21-15-18(22-20)16-23-11-13-24(14-12-23)19-9-5-2-6-10-19;/h1-10,18H,11-16H2,(H,21,22);1H/t18-;/m1./s1.
What are the key properties of 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride?
1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[[(5S)-2-phenyl-4,5-dihydro-1H-imidazol-5-yl]methyl]piperazine;hydrochloride is sourced from PubChem (CID 10247719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).