2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole

C13H17BrN2O2 — CID 110537973

IUPAC2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole
SMILESCCOc1c(Br)cc(C2=NCCN2C)cc1OC
InChIInChI=1S/C13H17BrN2O2/c1-4-18-12-10(14)7-9(8-11(12)17-3)13-15-5-6-16(13)2/h7-8H,4-6H2,1-3H3
InChIKeyHQARZQASSGSMOY-UHFFFAOYSA-N
MW313.20 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole

2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole (PubChem CID 110537973) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole
PubChem CID110537973
Molecular FormulaC13H17BrN2O2
Molecular Weight313.20 g/mol
Exact Mass312.05
IUPAC Name2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole
SMILESCCOc1c(Br)cc(C2=NCCN2C)cc1OC
InChIInChI=1S/C13H17BrN2O2/c1-4-18-12-10(14)7-9(8-11(12)17-3)13-15-5-6-16(13)2/h7-8H,4-6H2,1-3H3
InChIKeyHQARZQASSGSMOY-UHFFFAOYSA-N
XLogP2.55
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-1-methyl-4,5-dihydroimidazole
CID 110540743
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 7745185
3-(3-bromo-4-ethoxy-5-methoxyphenyl)-5-(2-ethoxyethyl)-1H-1,2,4-triazole
CID 139017197
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110535982
3-bromo-4-ethoxy-5-methoxy-N-propan-2-ylaniline
CID 83953305
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
CID 110539968
(3-bromo-4-ethoxy-5-methoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 35864203
4-(3-bromo-4-ethoxy-5-methoxybenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 32500986
1-bromo-2-ethoxy-3-fluoro-4-methoxybenzene
CID 171000857
1-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperidine-4-carboxylic acid
CID 45427057

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The IUPAC name of 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole (CID 110537973) is 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The canonical SMILES for 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole is CCOc1c(Br)cc(C2=NCCN2C)cc1OC.
What is the InChIKey of 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole?
The InChIKey is HQARZQASSGSMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-4-18-12-10(14)7-9(8-11(12)17-3)13-15-5-6-16(13)2/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole?
2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole has a molecular weight of 313.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-methyl-4,5-dihydroimidazole is sourced from PubChem (CID 110537973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).