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

C23H23BrN2OS — CID 11583340

IUPAC1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1CCc1sccc1C1=NCCN1Cc1ccccc1
InChIInChI=1S/C23H23BrN2OS/c1-27-21-9-8-19(24)15-18(21)7-10-22-20(11-14-28-22)23-25-12-13-26(23)16-17-5-3-2-4-6-17/h2-6,8-9,11,14-15H,7,10,12-13,16H2,1H3
InChIKeyIABWOCWKGFQULX-UHFFFAOYSA-N
MW455.42 g/mol
LogP5.57
Rot. Bonds7

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

1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole (PubChem CID 11583340) has the molecular formula C23H23BrN2OS and a molecular weight of 455.42 g/mol. Its IUPAC name is 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
PubChem CID11583340
Molecular FormulaC23H23BrN2OS
Molecular Weight455.42 g/mol
Exact Mass454.07
IUPAC Name1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole
SMILESCOc1ccc(Br)cc1CCc1sccc1C1=NCCN1Cc1ccccc1
InChIInChI=1S/C23H23BrN2OS/c1-27-21-9-8-19(24)15-18(21)7-10-22-20(11-14-28-22)23-25-12-13-26(23)16-17-5-3-2-4-6-17/h2-6,8-9,11,14-15H,7,10,12-13,16H2,1H3
InChIKeyIABWOCWKGFQULX-UHFFFAOYSA-N
XLogP5.57
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-1-propyl-4,5-dihydroimidazole
CID 11495178
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
tert-butyl 2-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-4,5-dihydroimidazol-1-yl]acetate
CID 59715428
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-chlorophenyl]-1-methyl-4,5-dihydroimidazole
CID 10223125
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-[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]-3-fluorophenyl]-1-methyl-4,5-dihydroimidazole
CID 59715225
1-[2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-4-fluorophenyl]-4,5-dihydroimidazol-1-yl]-2-naphthalen-2-ylethanone
CID 177313744
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-2-phenylethanamine
CID 782861
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
CID 59715237
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole (CID 11583340) is 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole is COc1ccc(Br)cc1CCc1sccc1C1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole?
The InChIKey is IABWOCWKGFQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN2OS/c1-27-21-9-8-19(24)15-18(21)7-10-22-20(11-14-28-22)23-25-12-13-26(23)16-17-5-3-2-4-6-17/h2-6,8-9,11,14-15H,7,10,12-13,16H2,1H3.
What are the key properties of 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole?
1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole has a molecular weight of 455.42 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophen-3-yl]-4,5-dihydroimidazole is sourced from PubChem (CID 11583340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).