[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid

C24H24FN5O2 — CID 135370825

IUPAC[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid
SMILESO=C(O)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H24FN5O2/c25-18-3-1-17(2-4-18)20-21(19-5-6-26-22(28-19)29-23(31)32)30(13-27-20)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,13-16H,7-12H2,(H,31,32)(H,26,28,29)
InChIKeyWUGYMZWPPIJYCA-UHFFFAOYSA-N
MW433.49 g/mol
LogP5.16
Rot. Bonds4

About [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid

[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid (PubChem CID 135370825) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid.

Molecular Properties

Compound Name[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid
PubChem CID135370825
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid
SMILESO=C(O)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C24H24FN5O2/c25-18-3-1-17(2-4-18)20-21(19-5-6-26-22(28-19)29-23(31)32)30(13-27-20)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,13-16H,7-12H2,(H,31,32)(H,26,28,29)
InChIKeyWUGYMZWPPIJYCA-UHFFFAOYSA-N
XLogP5.16
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.49
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamate
CID 153461579
1-ethynyl-4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 152782025
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyridine-6-carboxylic acid
CID 10274363
4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
CID 23133387
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
N-[4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]acetamide
CID 68512552
6-(1-adamantyl)-3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46192364
4-[[4-(4-fluorophenyl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazol-1-yl]methyl]benzamide
CID 44568361
4-[4-(4-fluorophenyl)-5-[2-(hydroxymethyl)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
CID 58473081
4-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 162424586
4-[5-(4-fluorophenyl)-3-(2-fluoropropan-2-yl)imidazol-4-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 162424582

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid?
The IUPAC name of [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid (CID 135370825) is [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid.
What is the SMILES notation for [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid?
The canonical SMILES for [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid is O=C(O)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid?
The InChIKey is WUGYMZWPPIJYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c25-18-3-1-17(2-4-18)20-21(19-5-6-26-22(28-19)29-23(31)32)30(13-27-20)24-10-14-7-15(11-24)9-16(8-14)12-24/h1-6,13-16H,7-12H2,(H,31,32)(H,26,28,29).
What are the key properties of [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid?
[4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid has a molecular weight of 433.49 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-adamantyl)-5-(4-fluorophenyl)imidazol-4-yl]pyrimidin-2-yl]carbamic acid is sourced from PubChem (CID 135370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).