2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile

C21H15F2N5 — CID 42630820

IUPAC2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
SMILESC[C@@H]1N=C(c2cc(C#N)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
InChIKeyZBGKXIUDBXMCLF-ZSEKCTLFSA-N
MW375.38 g/mol
LogP3.31
Rot. Bonds3

About 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile

2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile (PubChem CID 42630820) has the molecular formula C21H15F2N5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
PubChem CID42630820
Molecular FormulaC21H15F2N5
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile
SMILESC[C@@H]1N=C(c2cc(C#N)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1
InChIInChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1
InChIKeyZBGKXIUDBXMCLF-ZSEKCTLFSA-N
XLogP3.31
TPSA73.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile (CID 42630820) is 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile is C[C@@H]1N=C(c2cc(C#N)ccn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1.
What is the InChIKey of 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
The InChIKey is ZBGKXIUDBXMCLF-ZSEKCTLFSA-N. The full InChI is InChI=1S/C21H15F2N5/c1-13-21(15-2-5-17(22)6-3-15,16-4-7-19(23)26-12-16)28-20(27-13)18-10-14(11-24)8-9-25-18/h2-10,12-13H,1H3,(H,27,28)/t13-,21-/m0/s1.
What are the key properties of 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile?
2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile has a molecular weight of 375.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-5-(4-fluorophenyl)-5-(6-fluoro-3-pyridinyl)-4-methyl-1,4-dihydroimidazol-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 42630820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).