(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

C13H17BrN4O2 — CID 53200159

IUPAC(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCN1CCN(C2=NCCN2C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H17BrN4O2/c1-16-6-8-17(9-7-16)13-15-4-5-18(13)12(19)10-2-3-11(14)20-10/h2-3H,4-9H2,1H3
InChIKeyYJSLBYJMVCEAIP-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.10
Rot. Bonds1

About (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone

(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (PubChem CID 53200159) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
PubChem CID53200159
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone
SMILESCN1CCN(C2=NCCN2C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C13H17BrN4O2/c1-16-6-8-17(9-7-16)13-15-4-5-18(13)12(19)10-2-3-11(14)20-10/h2-3H,4-9H2,1H3
InChIKeyYJSLBYJMVCEAIP-UHFFFAOYSA-N
XLogP1.10
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone (CID 53200159) is (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is CN1CCN(C2=NCCN2C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
The InChIKey is YJSLBYJMVCEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-16-6-8-17(9-7-16)13-15-4-5-18(13)12(19)10-2-3-11(14)20-10/h2-3H,4-9H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone?
(5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone has a molecular weight of 341.21 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-(4-methylpiperazin-1-yl)-4,5-dihydroimidazol-1-yl]methanone is sourced from PubChem (CID 53200159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).