hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride

C13H19ClN2O — CID 67108233

IUPAChydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride
SMILESCC(C)c1ccccc1OCC1=NCCN1.[Cl-].[H+]
InChIInChI=1S/C13H18N2O.ClH/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13;/h3-6,10H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyBNEFCDXWSZCUGA-UHFFFAOYSA-N
MW254.76 g/mol
LogP-0.69
Rot. Bonds4

About hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride

hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride (PubChem CID 67108233) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride.

Molecular Properties

Compound Namehydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride
PubChem CID67108233
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Namehydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride
SMILESCC(C)c1ccccc1OCC1=NCCN1.[Cl-].[H+]
InChIInChI=1S/C13H18N2O.ClH/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13;/h3-6,10H,7-9H2,1-2H3,(H,14,15);1H
InChIKeyBNEFCDXWSZCUGA-UHFFFAOYSA-N
XLogP-0.69
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride?
The IUPAC name of hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride (CID 67108233) is hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride.
What is the SMILES notation for hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride?
The canonical SMILES for hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride is CC(C)c1ccccc1OCC1=NCCN1.[Cl-].[H+].
What is the InChIKey of hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride?
The InChIKey is BNEFCDXWSZCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10(2)11-5-3-4-6-12(11)16-9-13-14-7-8-15-13;/h3-6,10H,7-9H2,1-2H3,(H,14,15);1H.
What are the key properties of hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride?
hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride has a molecular weight of 254.76 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-[(2-propan-2-ylphenoxy)methyl]-4,5-dihydro-1H-imidazole;chloride is sourced from PubChem (CID 67108233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).