2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole

C12H16N2O — CID 119089815

IUPAC2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCOC(C1=NCCN1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-15-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14)
InChIKeyCWTIISVKYWUXIW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.77
Rot. Bonds4

About 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole

2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 119089815) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID119089815
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCOC(C1=NCCN1)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-15-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14)
InChIKeyCWTIISVKYWUXIW-UHFFFAOYSA-N
XLogP1.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
CID 163084362
2-[1-(3-bromophenyl)propyl]-4,5-dihydro-1H-imidazole
CID 58951733
CID 56851104
CID 56851104
1-[4,5-dihydro-1H-imidazol-2-yl(phenyl)methyl]piperidine
CID 82023612
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
[cyclopenta-1,4-dien-1-yl(ethoxy)methyl]benzene;titanium(3+);dichloride
CID 87976242
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
3-[(1R)-1,2-diphenylethyl]-1,2,5,6-tetrahydro-1,2,4-triazine
CID 124504493
CID 56851103
CID 56851103
3-[ethoxy(phenyl)methyl]-4H-1,2,4-oxadiazol-5-one
CID 136964550
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
1-[ethoxy(phenyl)methyl]-2-methylsulfanylbenzene
CID 118669387

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole (CID 119089815) is 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole is CCOC(C1=NCCN1)c1ccccc1.
What is the InChIKey of 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is CWTIISVKYWUXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-15-11(12-13-8-9-14-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,13,14).
What are the key properties of 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 204.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy(phenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 119089815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).