2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole

C19H21FN2O2 — CID 151050805

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole
SMILESCOc1ccc(CCC2=NCCN2c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O2/c1-23-17-8-6-14(12-18(17)24-2)7-9-19-21-10-11-22(19)16-5-3-4-15(20)13-16/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyMEBXAIRAAAJOKU-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole (PubChem CID 151050805) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole
PubChem CID151050805
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole
SMILESCOc1ccc(CCC2=NCCN2c2cccc(F)c2)cc1OC
InChIInChI=1S/C19H21FN2O2/c1-23-17-8-6-14(12-18(17)24-2)7-9-19-21-10-11-22(19)16-5-3-4-15(20)13-16/h3-6,8,12-13H,7,9-11H2,1-2H3
InChIKeyMEBXAIRAAAJOKU-UHFFFAOYSA-N
XLogP3.69
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547252
2-[2-(3,4-dimethoxyphenyl)ethyl-[1-(3-fluorophenyl)piperidin-4-yl]amino]acetic acid
CID 110161358
1-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]-3-(3-fluorophenyl)imidazolidin-2-one
CID 10150393
3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
N-[1-(3-fluorophenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-2-methoxybenzamide
CID 35755455
2-[2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]ethylamino]-2-pyrrolidin-1-ylacetaldehyde;hydrochloride
CID 87707622
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 22830982
N-[(3,4-dimethoxyphenyl)methyl]-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340397
2-ethyl-1-(3-methoxyphenyl)-5,6-dihydro-4H-pyrimidine
CID 45095290
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
(4R)-4-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 92597743

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole (CID 151050805) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole is COc1ccc(CCC2=NCCN2c2cccc(F)c2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole?
The InChIKey is MEBXAIRAAAJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-23-17-8-6-14(12-18(17)24-2)7-9-19-21-10-11-22(19)16-5-3-4-15(20)13-16/h3-6,8,12-13H,7,9-11H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole has a molecular weight of 328.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)-4,5-dihydroimidazole is sourced from PubChem (CID 151050805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).