[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone

C22H23FN4O2 — CID 31533384

IUPAC[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-29-21-7-2-17(14-20(21)23)15-25-10-12-26(13-11-25)22(28)18-3-5-19(6-4-18)27-9-8-24-16-27/h2-9,14,16H,10-13,15H2,1H3
InChIKeyJQFLRVKUAFJWNL-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.98
Rot. Bonds5

About [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone (PubChem CID 31533384) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
PubChem CID31533384
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1F
InChIInChI=1S/C22H23FN4O2/c1-29-21-7-2-17(14-20(21)23)15-25-10-12-26(13-11-25)22(28)18-3-5-19(6-4-18)27-9-8-24-16-27/h2-9,14,16H,10-13,15H2,1H3
InChIKeyJQFLRVKUAFJWNL-UHFFFAOYSA-N
XLogP2.98
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 31329729
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 18115984
(4-tert-butylphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115931
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 167752087
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 31329220
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876286
(1-ethylbenzotriazol-5-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115919
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone (CID 31533384) is [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The canonical SMILES for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone is COc1ccc(CN2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1F.
What is the InChIKey of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
The InChIKey is JQFLRVKUAFJWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-29-21-7-2-17(14-20(21)23)15-25-10-12-26(13-11-25)22(28)18-3-5-19(6-4-18)27-9-8-24-16-27/h2-9,14,16H,10-13,15H2,1H3.
What are the key properties of [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone?
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone has a molecular weight of 394.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone is sourced from PubChem (CID 31533384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).