(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C22H23FN4O — CID 90560617

IUPAC(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O/c23-20-8-4-7-19(17-20)22(28)27-15-12-25(13-16-27)11-14-26-10-9-24-21(26)18-5-2-1-3-6-18/h1-10,17H,11-16H2
InChIKeyIZHJRJZMWSFKCE-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.15
Rot. Bonds5

About (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90560617) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90560617
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C22H23FN4O/c23-20-8-4-7-19(17-20)22(28)27-15-12-25(13-16-27)11-14-26-10-9-24-21(26)18-5-2-1-3-6-18/h1-10,17H,11-16H2
InChIKeyIZHJRJZMWSFKCE-UHFFFAOYSA-N
XLogP3.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzonitrile
CID 90560720
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
[4-(dimethylamino)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560717
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 90560608
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyrazin-2-ylmethanone
CID 90560710
1-[(3-fluorophenyl)methylsulfonyl]-4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine
CID 90560937
(5-chlorothiophen-2-yl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560726
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
[4-(imidazol-1-ylmethyl)phenyl]-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90560553
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90560617) is (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(CCn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is IZHJRJZMWSFKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-20-8-4-7-19(17-20)22(28)27-15-12-25(13-16-27)11-14-26-10-9-24-21(26)18-5-2-1-3-6-18/h1-10,17H,11-16H2.
What are the key properties of (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90560617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).