2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile

C22H16F2N4O — CID 10178465

IUPAC2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2=N[C@@H](CO)C(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H16F2N4O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)20(13-29)27-21(28-22)19-11-14(12-25)9-10-26-19/h1-11,20,29H,13H2,(H,27,28)/t20-/m0/s1
InChIKeyMEYYAEMUCGROAL-FQEVSTJZSA-N
MW390.39 g/mol
LogP2.89
Rot. Bonds4

About 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile

2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile (PubChem CID 10178465) has the molecular formula C22H16F2N4O and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
PubChem CID10178465
Molecular FormulaC22H16F2N4O
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(C2=N[C@@H](CO)C(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1
InChIInChI=1S/C22H16F2N4O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)20(13-29)27-21(28-22)19-11-14(12-25)9-10-26-19/h1-11,20,29H,13H2,(H,27,28)/t20-/m0/s1
InChIKeyMEYYAEMUCGROAL-FQEVSTJZSA-N
XLogP2.89
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile (CID 10178465) is 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile is N#Cc1ccnc(C2=N[C@@H](CO)C(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1.
What is the InChIKey of 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The InChIKey is MEYYAEMUCGROAL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H16F2N4O/c23-17-5-1-15(2-6-17)22(16-3-7-18(24)8-4-16)20(13-29)27-21(28-22)19-11-14(12-25)9-10-26-19/h1-11,20,29H,13H2,(H,27,28)/t20-/m0/s1.
What are the key properties of 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile has a molecular weight of 390.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-5,5-bis(4-fluorophenyl)-4-(hydroxymethyl)-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 10178465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).