(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

C17H22N4O — CID 43924627

IUPAC(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-2-19-9-11-21(12-10-19)17(22)16-5-3-15(4-6-16)13-20-8-7-18-14-20/h3-8,14H,2,9-13H2,1H3
InChIKeyCMHNFGJMQXWMQY-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.71
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (PubChem CID 43924627) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
PubChem CID43924627
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1
InChIInChI=1S/C17H22N4O/c1-2-19-9-11-21(12-10-19)17(22)16-5-3-15(4-6-16)13-20-8-7-18-14-20/h3-8,14H,2,9-13H2,1H3
InChIKeyCMHNFGJMQXWMQY-UHFFFAOYSA-N
XLogP1.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(imidazol-1-ylmethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163346774
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55719379
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55719266
2-[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 55718532
ethyl 1-[4-(imidazol-1-ylmethyl)benzoyl]piperidine-4-carboxylate
CID 43923306
[4-(imidazol-1-ylmethyl)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165004
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 94022564
(2,2-dimethylmorpholin-4-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 86991463
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
[3-(hydroxymethyl)azetidin-1-yl]-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 121105751
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553
[4-[4-(imidazol-1-ylmethyl)benzoyl]piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
CID 51897007

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone (CID 43924627) is (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is CCN1CCN(C(=O)c2ccc(Cn3ccnc3)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
The InChIKey is CMHNFGJMQXWMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-19-9-11-21(12-10-19)17(22)16-5-3-15(4-6-16)13-20-8-7-18-14-20/h3-8,14H,2,9-13H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone has a molecular weight of 298.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-(imidazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 43924627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).