2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride

C16H19Cl2FN4O — CID 141054622

IUPAC2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(OC)c(F)c2)cn1.Cl.Cl
InChIInChI=1S/C16H17FN4O.2ClH/c1-3-16-18-6-7-20(16)9-12-10-21(11-19-12)13-4-5-15(22-2)14(17)8-13;;/h4-8,10-11H,3,9H2,1-2H3;2*1H
InChIKeyIQCDBRYYHIEGDT-UHFFFAOYSA-N
MW373.26 g/mol
LogP3.67
Rot. Bonds5

About 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride

2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride (PubChem CID 141054622) has the molecular formula C16H19Cl2FN4O and a molecular weight of 373.26 g/mol. Its IUPAC name is 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride.

Molecular Properties

Compound Name2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride
PubChem CID141054622
Molecular FormulaC16H19Cl2FN4O
Molecular Weight373.26 g/mol
Exact Mass372.09
IUPAC Name2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride
SMILESCCc1nccn1Cc1cn(-c2ccc(OC)c(F)c2)cn1.Cl.Cl
InChIInChI=1S/C16H17FN4O.2ClH/c1-3-16-18-6-7-20(16)9-12-10-21(11-19-12)13-4-5-15(22-2)14(17)8-13;;/h4-8,10-11H,3,9H2,1-2H3;2*1H
InChIKeyIQCDBRYYHIEGDT-UHFFFAOYSA-N
XLogP3.67
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromo-4-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 159616253
2-ethyl-1-[[1-[4-methyl-3-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
CID 141054639
2-ethyl-1-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]methyl]imidazole;hydrochloride
CID 141054873
1-(4-chloro-2-fluorophenyl)-4-[(2-ethylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 160655070
2-ethyl-1-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]imidazol-4-yl]methyl]imidazole
CID 141054643
1-[3-(difluoromethyl)-4-fluorophenyl]-4-[(2-methylimidazol-1-yl)methyl]imidazole;hydrochloride
CID 141054724
2-(2-ethylimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 109411192
3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyaniline
CID 61402513
N-[[3-[(2-ethylimidazol-1-yl)methyl]-4-methoxyphenyl]methyl]cyclopropanamine
CID 62018191
2-[1-(3,4-dimethoxyphenyl)imidazol-4-yl]acetic acid
CID 82485425
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
[5-[(2-ethylimidazol-1-yl)methyl]-2-fluorophenyl]boronic acid
CID 54970735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride?
The IUPAC name of 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride (CID 141054622) is 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride.
What is the SMILES notation for 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride?
The canonical SMILES for 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride is CCc1nccn1Cc1cn(-c2ccc(OC)c(F)c2)cn1.Cl.Cl.
What is the InChIKey of 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride?
The InChIKey is IQCDBRYYHIEGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O.2ClH/c1-3-16-18-6-7-20(16)9-12-10-21(11-19-12)13-4-5-15(22-2)14(17)8-13;;/h4-8,10-11H,3,9H2,1-2H3;2*1H.
What are the key properties of 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride?
2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride has a molecular weight of 373.26 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[[1-(3-fluoro-4-methoxyphenyl)imidazol-4-yl]methyl]imidazole;dihydrochloride is sourced from PubChem (CID 141054622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).