4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole

C16H20BrClN2O — CID 174435809

IUPAC4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole
SMILESCCCOc1ccc(CCn2cc(Br)nc2CC)c(Cl)c1
InChIInChI=1S/C16H20BrClN2O/c1-3-9-21-13-6-5-12(14(18)10-13)7-8-20-11-15(17)19-16(20)4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyJWYPKMZUBUQVKC-UHFFFAOYSA-N
MW371.71 g/mol
LogP4.89
Rot. Bonds7

About 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole

4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole (PubChem CID 174435809) has the molecular formula C16H20BrClN2O and a molecular weight of 371.71 g/mol. Its IUPAC name is 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole.

Molecular Properties

Compound Name4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole
PubChem CID174435809
Molecular FormulaC16H20BrClN2O
Molecular Weight371.71 g/mol
Exact Mass370.04
IUPAC Name4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole
SMILESCCCOc1ccc(CCn2cc(Br)nc2CC)c(Cl)c1
InChIInChI=1S/C16H20BrClN2O/c1-3-9-21-13-6-5-12(14(18)10-13)7-8-20-11-15(17)19-16(20)4-2/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyJWYPKMZUBUQVKC-UHFFFAOYSA-N
XLogP4.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.71
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-[2-(bromomethyl)-5-propoxyphenoxy]ethyl]-1-methylimidazole
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ethyl (E)-3-[5-chloro-3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylimidazol-4-yl]-2-methylprop-2-enoate
CID 148546275
ethyl 2-chloro-4-propoxybenzoate
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2-ethyl-1-hex-3-ynyl-4-propoxybenzene
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CID 30135289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole?
The IUPAC name of 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole (CID 174435809) is 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole.
What is the SMILES notation for 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole?
The canonical SMILES for 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole is CCCOc1ccc(CCn2cc(Br)nc2CC)c(Cl)c1.
What is the InChIKey of 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole?
The InChIKey is JWYPKMZUBUQVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O/c1-3-9-21-13-6-5-12(14(18)10-13)7-8-20-11-15(17)19-16(20)4-2/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole?
4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole has a molecular weight of 371.71 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[2-(2-chloro-4-propoxyphenyl)ethyl]-2-ethylimidazole is sourced from PubChem (CID 174435809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).