4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol

C26H25F2N5O — CID 139886268

IUPAC4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1Nc1nccc(-c2cnc(-c3ccc(F)cc3)n2C2CCC(O)CC2)n1
InChIInChI=1S/C26H25F2N5O/c1-16-14-19(28)6-11-22(16)31-26-29-13-12-23(32-26)24-15-30-25(17-2-4-18(27)5-3-17)33(24)20-7-9-21(34)10-8-20/h2-6,11-15,20-21,34H,7-10H2,1H3,(H,29,31,32)
InChIKeyGFCWUKNMIPTIPR-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.81
Rot. Bonds5

About 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol

4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol (PubChem CID 139886268) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
PubChem CID139886268
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
SMILESCc1cc(F)ccc1Nc1nccc(-c2cnc(-c3ccc(F)cc3)n2C2CCC(O)CC2)n1
InChIInChI=1S/C26H25F2N5O/c1-16-14-19(28)6-11-22(16)31-26-29-13-12-23(32-26)24-15-30-25(17-2-4-18(27)5-3-17)33(24)20-7-9-21(34)10-8-20/h2-6,11-15,20-21,34H,7-10H2,1H3,(H,29,31,32)
InChIKeyGFCWUKNMIPTIPR-UHFFFAOYSA-N
XLogP5.81
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol (CID 139886268) is 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol is Cc1cc(F)ccc1Nc1nccc(-c2cnc(-c3ccc(F)cc3)n2C2CCC(O)CC2)n1.
What is the InChIKey of 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
The InChIKey is GFCWUKNMIPTIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-16-14-19(28)6-11-22(16)31-26-29-13-12-23(32-26)24-15-30-25(17-2-4-18(27)5-3-17)33(24)20-7-9-21(34)10-8-20/h2-6,11-15,20-21,34H,7-10H2,1H3,(H,29,31,32).
What are the key properties of 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol?
4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol has a molecular weight of 461.52 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 139886268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).