4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine

C18H19FN6 — CID 10149949

IUPAC4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)n1
InChIInChI=1S/C18H19FN6/c19-16-6-7-20-18(23-16)25-10-8-24(9-11-25)13-15-12-21-17(22-15)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyIVDIUAVWKAOTKX-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.33
Rot. Bonds4

About 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine

4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 10149949) has the molecular formula C18H19FN6 and a molecular weight of 338.39 g/mol. Its IUPAC name is 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID10149949
Molecular FormulaC18H19FN6
Molecular Weight338.39 g/mol
Exact Mass338.17
IUPAC Name4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)n1
InChIInChI=1S/C18H19FN6/c19-16-6-7-20-18(23-16)25-10-8-24(9-11-25)13-15-12-21-17(22-15)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22)
InChIKeyIVDIUAVWKAOTKX-UHFFFAOYSA-N
XLogP2.33
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2-phenyl-1H-imidazol-5-yl)propyl]piperazin-1-yl]pyrimidine
CID 15453799
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-pyridin-4-ylpiperazine;bis(2,2,2-trifluoroacetic acid)
CID 154891600
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
2-[3,5-dimethyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine
CID 18685195
2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
CID 29022137
1-benzhydryl-4-[[2-(4-methylphenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 19106667
4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1,4-oxazepane;bis(2,2,2-trifluoroacetic acid)
CID 154886331
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781260
1-(4-methoxyphenyl)-2-methyl-4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine
CID 10237133
[3-methyl-1-[(2-phenyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120781259
1-[[2-(2-fluorophenyl)-1H-imidazol-5-yl]methyl]piperazine
CID 82301704
2-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-5-phenyl-1,3-thiazole
CID 126767686

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine (CID 10149949) is 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is Fc1ccnc(N2CCN(Cc3cnc(-c4ccccc4)[nH]3)CC2)n1.
What is the InChIKey of 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is IVDIUAVWKAOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6/c19-16-6-7-20-18(23-16)25-10-8-24(9-11-25)13-15-12-21-17(22-15)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,22).
What are the key properties of 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine?
4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 338.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10149949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).