4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol

C25H24FN5O — CID 10094158

IUPAC4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)
InChIKeyMAYPJJRDAMKMHH-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.37
Rot. Bonds5

About 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol

4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol (PubChem CID 10094158) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
PubChem CID10094158
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1
InChIInChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30)
InChIKeyMAYPJJRDAMKMHH-UHFFFAOYSA-N
XLogP5.37
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol (CID 10094158) is 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol is OC1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Nc3ccccc3)n2)CC1.
What is the InChIKey of 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The InChIKey is MAYPJJRDAMKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-18-8-6-17(7-9-18)23-24(31(16-28-23)20-10-12-21(32)13-11-20)22-14-15-27-25(30-22)29-19-4-2-1-3-5-19/h1-9,14-16,20-21,32H,10-13H2,(H,27,29,30).
What are the key properties of 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol has a molecular weight of 429.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-anilinopyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 10094158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).