4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

C18H18FN5 — CID 57461718

IUPAC4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncn2)cc1
InChIInChI=1S/C18H18FN5/c19-14-3-1-13(2-4-14)17-18(16-7-10-21-11-22-16)24(12-23-17)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2
InChIKeyDEBZZOLMKVPGDM-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.07
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (PubChem CID 57461718) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
PubChem CID57461718
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncn2)cc1
InChIInChI=1S/C18H18FN5/c19-14-3-1-13(2-4-14)17-18(16-7-10-21-11-22-16)24(12-23-17)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2
InChIKeyDEBZZOLMKVPGDM-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Abemaciclib
CID 46220502
N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Tecastemizole
CID 123618
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-670462
CID 51049607
L-790070
CID 9806182
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
1-benzyl-5-phenyl-1H-imidazole
CID 10444038

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine (CID 57461718) is 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccncn2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
The InChIKey is DEBZZOLMKVPGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-14-3-1-13(2-4-14)17-18(16-7-10-21-11-22-16)24(12-23-17)15-5-8-20-9-6-15/h1-4,7,10-12,15,20H,5-6,8-9H2.
What are the key properties of 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine?
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine has a molecular weight of 323.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine is sourced from PubChem (CID 57461718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).