N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide

C26H32FN5O2 — CID 44589179

IUPACN-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33)
InChIKeyFVTIZFQEARZLMQ-UHFFFAOYSA-N
MW465.57 g/mol
LogP3.55
Rot. Bonds11

About N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide

N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide (PubChem CID 44589179) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
PubChem CID44589179
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC NameN-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33)
InChIKeyFVTIZFQEARZLMQ-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

N-methyl-4-[(2-{methyl[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041171
4-((1-(2-(1H-imidazol-2-yl)ethyl)piperidin-4-yl)(3-hydroxyphenyl)amino)-N,N-diethylbenzamide
CID 45486102
4-{3-Fluoro-5-[4-(2-methyl-imidazol-1-yl)-benzyloxy]-phenyl}-tetrahydro-pyran-4-carboxylic acid methylamide
CID 11487048
N-[3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-phenyl]-benzamide
CID 21697108
(E)-4-Fluoro-N-(1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-6-(pyridin-2-yloxy)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650693
5-[[3-[(4-Imidazol-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124156175
2-(2-Fluorophenyl)-3-[4-(2-imidazol-1-ylethoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 137658192
5-(2,3-difluoro-4-methoxyphenyl)-N-[4-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]-3-ethylphenyl]-1-methylimidazole-2-carboxamide
CID 166463762
(10Z)-N-[4-[2-(diethylamino)ethylcarbamoyl]cyclohexyl]-15-methyl-13-oxa-2,6,8,19-tetrazatricyclo[12.3.1.13,7]nonadeca-1(18),3(19),4,6,10,14,16-heptaene-4-carboxamide
CID 171391782
3-(4-Methyl-1h-Imidazol-1-Yl)-N-[4-(Pyridin-4-Yloxy)phenyl]benzamide
CID 118194949
N-[3-(1H-Imidazol-1-yl)propyl]-2-(4-methoxybenzamido)benzamide
CID 2883729
{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-piperidin-1-yl-methanone
CID 10661883

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide (CID 44589179) is N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide is O=C(NCCCCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
The InChIKey is FVTIZFQEARZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c27-10-19-34-25-5-3-4-24(20-25)31-17-15-30(16-18-31)13-2-1-11-29-26(33)22-6-8-23(9-7-22)32-14-12-28-21-32/h3-9,12,14,20-21H,1-2,10-11,13,15-19H2,(H,29,33).
What are the key properties of N-[4-[4-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide?
N-[4-[4-[3-(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-[3-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 44589179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).