4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine

C17H16FN5 — CID 124565058

IUPAC4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn([C@@H]3CCNC3)c2-c2ccncn2)cc1
InChIInChI=1S/C17H16FN5/c18-13-3-1-12(2-4-13)16-17(15-6-8-20-10-21-15)23(11-22-16)14-5-7-19-9-14/h1-4,6,8,10-11,14,19H,5,7,9H2/t14-/m1/s1
InChIKeyJVSHQESMHHDDIZ-CQSZACIVSA-N
MW309.35 g/mol
LogP2.68
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine

4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine (PubChem CID 124565058) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
PubChem CID124565058
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
SMILESFc1ccc(-c2ncn([C@@H]3CCNC3)c2-c2ccncn2)cc1
InChIInChI=1S/C17H16FN5/c18-13-3-1-12(2-4-13)16-17(15-6-8-20-10-21-15)23(11-22-16)14-5-7-19-9-14/h1-4,6,8,10-11,14,19H,5,7,9H2/t14-/m1/s1
InChIKeyJVSHQESMHHDDIZ-CQSZACIVSA-N
XLogP2.68
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 57461718
4-[[4-[4-(4-fluorophenyl)-5-pyrimidin-4-ylimidazol-1-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 67104542
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
6-[5-(4-fluorophenyl)-3-pyrrolidin-3-ylimidazol-4-yl]-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine
CID 23433733
2-(3,5-difluorophenoxy)-4-[5-(4-iodophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 155646061
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
CID 162676290
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
CID 15872410
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 135370833
4-[4-(4-fluorophenyl)-5-[2-(hydroxymethyl)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 58473081
2-[[4-(5-phenyl-3-pyrrolidin-3-ylimidazol-4-yl)phenoxy]methyl]pyridine
CID 50982493
7-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10133267
4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxycyclohexa-1,3,5-triene-1-carboxylic acid
CID 171922044

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine (CID 124565058) is 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine is Fc1ccc(-c2ncn([C@@H]3CCNC3)c2-c2ccncn2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine?
The InChIKey is JVSHQESMHHDDIZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FN5/c18-13-3-1-12(2-4-13)16-17(15-6-8-20-10-21-15)23(11-22-16)14-5-7-19-9-14/h1-4,6,8,10-11,14,19H,5,7,9H2/t14-/m1/s1.
What are the key properties of 4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine?
4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine has a molecular weight of 309.35 g/mol, XLogP of 2.68, 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-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine is sourced from PubChem (CID 124565058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).