2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile

C18H22BrN5 — CID 84745697

IUPAC2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2c(Br)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C18H22BrN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyRUBZXBHYZMMYLQ-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.05
Rot. Bonds4

About 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile

2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile (PubChem CID 84745697) has the molecular formula C18H22BrN5 and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
PubChem CID84745697
Molecular FormulaC18H22BrN5
Molecular Weight388.31 g/mol
Exact Mass387.11
IUPAC Name2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
SMILESCCN1CCN(C(C#N)c2c(Br)nc(-c3ccccc3)n2C)CC1
InChIInChI=1S/C18H22BrN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3
InChIKeyRUBZXBHYZMMYLQ-UHFFFAOYSA-N
XLogP3.05
TPSA48.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The IUPAC name of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile (CID 84745697) is 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The canonical SMILES for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile is CCN1CCN(C(C#N)c2c(Br)nc(-c3ccccc3)n2C)CC1.
What is the InChIKey of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
The InChIKey is RUBZXBHYZMMYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN5/c1-3-23-9-11-24(12-10-23)15(13-20)16-17(19)21-18(22(16)2)14-7-5-4-6-8-14/h4-8,15H,3,9-12H2,1-2H3.
What are the key properties of 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile?
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile has a molecular weight of 388.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile is sourced from PubChem (CID 84745697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).