2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole

C19H23BrN2OS — CID 11495178

IUPAC2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
SMILESCCCN1CCN=C1c1ccsc1CCc1cc(Br)ccc1OC
InChIInChI=1S/C19H23BrN2OS/c1-3-10-22-11-9-21-19(22)16-8-12-24-18(16)7-4-14-13-15(20)5-6-17(14)23-2/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3
InChIKeyWNOQKWYBBYJYFG-UHFFFAOYSA-N
MW407.38 g/mol
LogP4.78
Rot. Bonds7

About 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole (PubChem CID 11495178) has the molecular formula C19H23BrN2OS and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
PubChem CID11495178
Molecular FormulaC19H23BrN2OS
Molecular Weight407.38 g/mol
Exact Mass406.07
IUPAC Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
SMILESCCCN1CCN=C1c1ccsc1CCc1cc(Br)ccc1OC
InChIInChI=1S/C19H23BrN2OS/c1-3-10-22-11-9-21-19(22)16-8-12-24-18(16)7-4-14-13-15(20)5-6-17(14)23-2/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3
InChIKeyWNOQKWYBBYJYFG-UHFFFAOYSA-N
XLogP4.78
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
CID 11583340
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophene-3-carboxylic acid
CID 59700975
1-[3-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-4,5-dihydroimidazol-1-yl]propyl]-4-methylpiperazine
CID 59715320
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
CID 59715225
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-methyl-4,5-dihydroimidazole
CID 10223125
tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate
CID 59715428
(3aR,7aR)-2-[2-(2-naphthalen-1-ylethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole;2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propan-2-yl-4,5-dihydroimidazole;2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole;1-[2-[3-chloro-2-(2-naphthalen-1-ylethyl)phenyl]-4,5-dihydroimidazol-1-yl]ethanone;2-[2-[2-(2-methoxynaphthalen-1-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazole;2-[2-[2-(2-methylnaphthalen-1-yl)ethyl]phenyl]-4,5-dihydro-1H-imidazole;3-(2-naphthalen-1-ylethyl)-2-(1-propan-2-yl-4,5-dihydroimidazol-2-yl)pyridine
CID 158168917
2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetic acid;tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate;hydrochloride
CID 158289608
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
CID 59715237
2-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-[N'-(2-methylpropyl)carbamimidoyl]thiophene-3-carboxamide
CID 11743831
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole?
The IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole (CID 11495178) is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole?
The canonical SMILES for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole is CCCN1CCN=C1c1ccsc1CCc1cc(Br)ccc1OC.
What is the InChIKey of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole?
The InChIKey is WNOQKWYBBYJYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2OS/c1-3-10-22-11-9-21-19(22)16-8-12-24-18(16)7-4-14-13-15(20)5-6-17(14)23-2/h5-6,8,12-13H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole?
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole has a molecular weight of 407.38 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole is sourced from PubChem (CID 11495178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).