2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole

C12H16N2O — CID 110540746

IUPAC2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
SMILESCCOc1cccc(C2=NCCN2C)c1
InChIInChI=1S/C12H16N2O/c1-3-15-11-6-4-5-10(9-11)12-13-7-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyXVEIBYNHNMXEIQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.78
Rot. Bonds3

About 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole

2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole (PubChem CID 110540746) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
PubChem CID110540746
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
SMILESCCOc1cccc(C2=NCCN2C)c1
InChIInChI=1S/C12H16N2O/c1-3-15-11-6-4-5-10(9-11)12-13-7-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3
InChIKeyXVEIBYNHNMXEIQ-UHFFFAOYSA-N
XLogP1.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540743
3-(3-ethoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 140603836
2-(3-ethoxyphenoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 55060707
4-(3-ethoxyphenyl)-N,N-diethylaniline
CID 11231008
2-[4-(3-ethoxyphenyl)pyrazol-1-yl]ethanamine;hydrochloride
CID 164607150
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
2-(3-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 82271897
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
1-(3-ethoxyphenyl)cyclohepta-1,3,5-triene
CID 142234255
2-(3-carbamimidoylphenoxy)ethyl 4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoate;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158436066
methyl-[3-[1-methyl-4-[3-[methyl(phenyl)boranyl]phenyl]-6,7-dihydro-1,3,5-triazepin-2-yl]phenyl]-phenylborane
CID 144597134
4-(3-ethoxyphenyl)-2-propylimidazole-1,5-diamine
CID 62507421

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole (CID 110540746) is 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole is CCOc1cccc(C2=NCCN2C)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is XVEIBYNHNMXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-15-11-6-4-5-10(9-11)12-13-7-8-14(12)2/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole?
2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 204.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 110540746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).