2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole

C11H14N2O — CID 45487144

IUPAC2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole
SMILESCC(OC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKeyMPCNSEQVVHOHGO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.72
Rot. Bonds2

About 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole

2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole (PubChem CID 45487144) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole
PubChem CID45487144
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole
SMILESCC(OC1=NCCN1)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6,9H,7-8H2,1H3,(H,12,13)
InChIKeyMPCNSEQVVHOHGO-UHFFFAOYSA-N
XLogP1.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Aminorex
CID 16630
4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
(4S,5R)-4-Methylaminorex
CID 3058692
4-Methylaminorex, (4S,5S)-
CID 214156
2-[1-(2-methylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
CID 45487089
2-[1-(2-prop-2-enylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
CID 45487145
2-[1-(2-propylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
CID 45487955
2-[1-(2-cyclopropylphenyl)ethoxy]-4,5-dihydro-1H-imidazole
CID 45487956
2-[(2-methylphenyl)methoxy]-4,5-dihydro-1H-imidazole
CID 45487958
2-[(2-propylphenyl)methoxy]-4,5-dihydro-1H-imidazole
CID 45487962
(4S)-4-(1-phenyl-ethoxymethyl)-4,5-dihydro-oxazol-2-ylamine
CID 45101106
(4S)-4-[[(1S)-1-phenylpropoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173192

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole (CID 45487144) is 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole is CC(OC1=NCCN1)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole?
The InChIKey is MPCNSEQVVHOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11/h2-6,9H,7-8H2,1H3,(H,12,13).
What are the key properties of 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole?
2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole has a molecular weight of 190.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 45487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).