N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide

C26H32FN5O2 — CID 42609932

IUPACN-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33)
InChIKeyUILMTLNPQHNZIS-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.55
Rot. Bonds11

About N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide

N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide (PubChem CID 42609932) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
PubChem CID42609932
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC NameN-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33)
InChIKeyUILMTLNPQHNZIS-UHFFFAOYSA-N
XLogP3.55
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 44532094
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
CID 67699856
N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
CID 139793526
2-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 51357647
N-(3-cyclopentylpropyl)-4-imidazol-1-ylbenzamide
CID 38336531
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide (CID 42609932) is N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide is O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The InChIKey is UILMTLNPQHNZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c27-11-20-34-25-6-2-1-5-24(25)31-18-16-30(17-19-31)14-4-3-12-29-26(33)22-7-9-23(10-8-22)32-15-13-28-21-32/h1-2,5-10,13,15,21H,3-4,11-12,14,16-20H2,(H,29,33).
What are the key properties of N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide has a molecular weight of 465.57 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 42609932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).