(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone

C21H20ClFN4O — CID 25285013

IUPAC(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C21H20ClFN4O/c1-15-5-7-16(8-6-15)27-10-9-24-21(27)26-13-11-25(12-14-26)20(28)19-17(22)3-2-4-18(19)23/h2-10H,11-14H2,1H3
InChIKeyFLDUIKIWSBKXNZ-UHFFFAOYSA-N
MW398.87 g/mol
LogP3.94
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone (PubChem CID 25285013) has the molecular formula C21H20ClFN4O and a molecular weight of 398.87 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
PubChem CID25285013
Molecular FormulaC21H20ClFN4O
Molecular Weight398.87 g/mol
Exact Mass398.13
IUPAC Name(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2ccnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1
InChIInChI=1S/C21H20ClFN4O/c1-15-5-7-16(8-6-15)27-10-9-24-21(27)26-13-11-25(12-14-26)20(28)19-17(22)3-2-4-18(19)23/h2-10H,11-14H2,1H3
InChIKeyFLDUIKIWSBKXNZ-UHFFFAOYSA-N
XLogP3.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone (CID 25285013) is (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone is Cc1ccc(-n2ccnc2N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is FLDUIKIWSBKXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O/c1-15-5-7-16(8-6-15)27-10-9-24-21(27)26-13-11-25(12-14-26)20(28)19-17(22)3-2-4-18(19)23/h2-10H,11-14H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 398.87 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 25285013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).