2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

C12H22BrN5 — CID 84744534

IUPAC2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2c(Br)ncn2C)CC1
InChIInChI=1S/C12H22BrN5/c1-3-17-4-6-18(7-5-17)10(8-14)11-12(13)15-9-16(11)2/h9-10H,3-8,14H2,1-2H3
InChIKeyPRWVPEDUZMLBSD-UHFFFAOYSA-N
MW316.25 g/mol
LogP0.82
Rot. Bonds4

About 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine

2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (PubChem CID 84744534) has the molecular formula C12H22BrN5 and a molecular weight of 316.25 g/mol. Its IUPAC name is 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
PubChem CID84744534
Molecular FormulaC12H22BrN5
Molecular Weight316.25 g/mol
Exact Mass315.11
IUPAC Name2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
SMILESCCN1CCN(C(CN)c2c(Br)ncn2C)CC1
InChIInChI=1S/C12H22BrN5/c1-3-17-4-6-18(7-5-17)10(8-14)11-12(13)15-9-16(11)2/h9-10H,3-8,14H2,1-2H3
InChIKeyPRWVPEDUZMLBSD-UHFFFAOYSA-N
XLogP0.82
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine (CID 84744534) is 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is CCN1CCN(C(CN)c2c(Br)ncn2C)CC1.
What is the InChIKey of 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
The InChIKey is PRWVPEDUZMLBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN5/c1-3-17-4-6-18(7-5-17)10(8-14)11-12(13)15-9-16(11)2/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine?
2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine has a molecular weight of 316.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 84744534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).