2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine

C18H26BrN5 — CID 84745718

IUPAC2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCNCC(c1nc(C)n(C)c1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26BrN5/c1-14-21-17(18(19)22(14)3)16(13-20-2)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,16,20H,9-13H2,1-3H3
InChIKeyQRWNVGJSWGPYEC-UHFFFAOYSA-N
MW392.35 g/mol
LogP2.57
Rot. Bonds5

About 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine

2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine (PubChem CID 84745718) has the molecular formula C18H26BrN5 and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
PubChem CID84745718
Molecular FormulaC18H26BrN5
Molecular Weight392.35 g/mol
Exact Mass391.14
IUPAC Name2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine
SMILESCNCC(c1nc(C)n(C)c1Br)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26BrN5/c1-14-21-17(18(19)22(14)3)16(13-20-2)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,16,20H,9-13H2,1-3H3
InChIKeyQRWNVGJSWGPYEC-UHFFFAOYSA-N
XLogP2.57
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-1-methyl-2-phenylimidazol-4-yl)-N-methyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 84745756
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)-N-methylethanamine
CID 84745575
2-(5-chloro-1-methyl-2-phenylimidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 84745726
2-(4-tert-butylpiperazin-1-yl)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)-N-methylethanamine
CID 84745616
N-ethyl-2-(4-phenylpiperazin-1-yl)butan-1-amine
CID 62423101
2-(5-chloro-2,3-dimethylimidazol-4-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84743632
2-(4-bromo-2-methyl-1H-imidazol-5-yl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 84744537
4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 22584293
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]propanamide
CID 3503405
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine (CID 84745718) is 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine is CNCC(c1nc(C)n(C)c1Br)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine?
The InChIKey is QRWNVGJSWGPYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN5/c1-14-21-17(18(19)22(14)3)16(13-20-2)24-11-9-23(10-12-24)15-7-5-4-6-8-15/h4-8,16,20H,9-13H2,1-3H3.
What are the key properties of 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine?
2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine has a molecular weight of 392.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,2-dimethylimidazol-4-yl)-N-methyl-2-(4-phenylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84745718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).