2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole

C22H27BrN2O — CID 90994336

IUPAC2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(Br)cc1CCc1ccccc1C1=NC(C(C)C)C(C)N1
InChIInChI=1S/C22H27BrN2O/c1-14(2)21-15(3)24-22(25-21)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-20(17)26-4/h5-8,11-15,21H,9-10H2,1-4H3,(H,24,25)
InChIKeyZJYVNRSXYURURL-UHFFFAOYSA-N
MW415.38 g/mol
LogP5.01
Rot. Bonds6

About 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 90994336) has the molecular formula C22H27BrN2O and a molecular weight of 415.38 g/mol. Its IUPAC name is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole
PubChem CID90994336
Molecular FormulaC22H27BrN2O
Molecular Weight415.38 g/mol
Exact Mass414.13
IUPAC Name2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(Br)cc1CCc1ccccc1C1=NC(C(C)C)C(C)N1
InChIInChI=1S/C22H27BrN2O/c1-14(2)21-15(3)24-22(25-21)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-20(17)26-4/h5-8,11-15,21H,9-10H2,1-4H3,(H,24,25)
InChIKeyZJYVNRSXYURURL-UHFFFAOYSA-N
XLogP5.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-1-methyl-4,5-dihydroimidazole
CID 11646449
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazole
CID 59715386
(2R)-4-(5-bromo-2-methoxyphenyl)butan-2-amine
CID 94231283
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-ethyl-1-methyl-4,5-dihydroimidazole
CID 59715237
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
N-[2-(5-bromo-2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 110788017
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
4-bromo-2-(4-bromo-4-cyclopropylbutyl)-1-methoxybenzene
CID 64507200
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11536881
3-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methoxy]pyrrolidine;hydrochloride
CID 69237786

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole (CID 90994336) is 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole is COc1ccc(Br)cc1CCc1ccccc1C1=NC(C(C)C)C(C)N1.
What is the InChIKey of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is ZJYVNRSXYURURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O/c1-14(2)21-15(3)24-22(25-21)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-20(17)26-4/h5-8,11-15,21H,9-10H2,1-4H3,(H,24,25).
What are the key properties of 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole?
2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 415.38 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]phenyl]-5-methyl-4-propan-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90994336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).