(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone

C16H20N4O — CID 78797284

IUPAC(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-2-18-8-10-19(11-9-18)16(21)15-12-17-13-20(15)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyRKTINYZWNHDLTI-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.65
Rot. Bonds3

About (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone

(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone (PubChem CID 78797284) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
PubChem CID78797284
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
SMILESCCN1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-2-18-8-10-19(11-9-18)16(21)15-12-17-13-20(15)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyRKTINYZWNHDLTI-UHFFFAOYSA-N
XLogP1.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856
2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 134014592
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(4-methylsulfonylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 51252246
(4-methyl-1,4-diazepan-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78795753
[4-(3-chlorophenyl)piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 17471508
(3S)-3-methyl-1-(3-phenylimidazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695532
(3-hydroxypyrrolidin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 62916077
(3-phenylimidazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25466506
5-(4-ethylpiperazine-1-carbonyl)-1-phenylpyridin-2-one
CID 91945531
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42692541

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone (CID 78797284) is (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone is CCN1CCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
The InChIKey is RKTINYZWNHDLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-18-8-10-19(11-9-18)16(21)15-12-17-13-20(15)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone?
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 78797284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).