4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol

C20H22FN5O — CID 44329092

IUPAC4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
SMILESCNC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F
InChIInChI=1S/C20H22FN5O/c1-22-20-23-11-10-17(25-20)19-18(13-2-4-14(21)5-3-13)24-12-26(19)15-6-8-16(27)9-7-15/h2-5,10-12,15-16,27H,6-9H2,1H3,(H,22,23,25)
InChIKeyIDEQYAAWVDARGG-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.60
Rot. Bonds4

About 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol

4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol (PubChem CID 44329092) has the molecular formula C20H22FN5O and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol
PubChem CID44329092
Molecular FormulaC20H22FN5O
Molecular Weight367.40 g/mol
Exact Mass367.18
IUPAC Name4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol
SMILESCNC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F
InChIInChI=1S/C20H22FN5O/c1-22-20-23-11-10-17(25-20)19-18(13-2-4-14(21)5-3-13)24-12-26(19)15-6-8-16(27)9-7-15/h2-5,10-12,15-16,27H,6-9H2,1H3,(H,22,23,25)
InChIKeyIDEQYAAWVDARGG-UHFFFAOYSA-N
XLogP2.60
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity467

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol?
The IUPAC name of 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol (CID 44329092) is 4-[4-(4-fluorophenyl)-5-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol?
The canonical SMILES for 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol is CNC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F.
What is the InChIKey of 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol?
The InChIKey is IDEQYAAWVDARGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-22-20-23-11-10-17(25-20)19-18(13-2-4-14(21)5-3-13)24-12-26(19)15-6-8-16(27)9-7-15/h2-5,10-12,15-16,27H,6-9H2,1H3,(H,22,23,25).
What are the key properties of 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol?
4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol has a molecular weight of 367.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-Fluoro-phenyl)-5-(2-methylamino-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol is sourced from PubChem (CID 44329092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).