[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone

C28H25FN4O3 — CID 112829933

IUPAC[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H25FN4O3/c29-23-8-10-24(11-9-23)33-20-30-18-26(33)28(35)32-16-14-31(15-17-32)27(34)22-6-12-25(13-7-22)36-19-21-4-2-1-3-5-21/h1-13,18,20H,14-17,19H2
InChIKeyCHRMDGOURFGWQT-UHFFFAOYSA-N
MW484.53 g/mol
LogP4.19
Rot. Bonds6

About [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone

[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 112829933) has the molecular formula C28H25FN4O3 and a molecular weight of 484.53 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
PubChem CID112829933
Molecular FormulaC28H25FN4O3
Molecular Weight484.53 g/mol
Exact Mass484.19
IUPAC Name[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C28H25FN4O3/c29-23-8-10-24(11-9-23)33-20-30-18-26(33)28(35)32-16-14-31(15-17-32)27(34)22-6-12-25(13-7-22)36-19-21-4-2-1-3-5-21/h1-13,18,20H,14-17,19H2
InChIKeyCHRMDGOURFGWQT-UHFFFAOYSA-N
XLogP4.19
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371349
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 26381982
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
azepan-1-yl-(3-phenylimidazol-4-yl)methanone
CID 60653934
(4-ethylpiperazin-1-yl)-(3-phenylimidazol-4-yl)methanone
CID 78797284
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
4-fluoro-N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 58462406
(4-phenylmethoxyphenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 155318665
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone (CID 112829933) is [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is CHRMDGOURFGWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3/c29-23-8-10-24(11-9-23)33-20-30-18-26(33)28(35)32-16-14-31(15-17-32)27(34)22-6-12-25(13-7-22)36-19-21-4-2-1-3-5-21/h1-13,18,20H,14-17,19H2.
What are the key properties of [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone?
[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 484.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 112829933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).