(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

C15H18BrClN4O — CID 71779967

IUPAC(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN4O.ClH/c1-18-6-5-17-15(18)20-9-7-19(8-10-20)14(21)12-3-2-4-13(16)11-12;/h2-6,11H,7-10H2,1H3;1H
InChIKeyJAFAHFURFGXCSS-UHFFFAOYSA-N
MW385.69 g/mol
LogP2.57
Rot. Bonds2

About (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride

(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71779967) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71779967
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1N1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H17BrN4O.ClH/c1-18-6-5-17-15(18)20-9-7-19(8-10-20)14(21)12-3-2-4-13(16)11-12;/h2-6,11H,7-10H2,1H3;1H
InChIKeyJAFAHFURFGXCSS-UHFFFAOYSA-N
XLogP2.57
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride (CID 71779967) is (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1N1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is JAFAHFURFGXCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.ClH/c1-18-6-5-17-15(18)20-9-7-19(8-10-20)14(21)12-3-2-4-13(16)11-12;/h2-6,11H,7-10H2,1H3;1H.
What are the key properties of (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride?
(3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 385.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).