(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol

C24H18FN3O — CID 54519859

IUPAC(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol
SMILES[C-]#[N+]c1ccc(Cn2cncc2C(O)c2ccc(-c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C24H18FN3O/c1-26-20-10-7-17(8-11-20)15-28-16-27-14-23(28)24(29)19-9-12-21(22(25)13-19)18-5-3-2-4-6-18/h2-14,16,24,29H,15H2
InChIKeyYPACRYOPJNDNTR-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.37
Rot. Bonds5

About (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol

(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol (PubChem CID 54519859) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol
PubChem CID54519859
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol
SMILES[C-]#[N+]c1ccc(Cn2cncc2C(O)c2ccc(-c3ccccc3)c(F)c2)cc1
InChIInChI=1S/C24H18FN3O/c1-26-20-10-7-17(8-11-20)15-28-16-27-14-23(28)24(29)19-9-12-21(22(25)13-19)18-5-3-2-4-6-18/h2-14,16,24,29H,15H2
InChIKeyYPACRYOPJNDNTR-UHFFFAOYSA-N
XLogP5.37
TPSA42.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol?
The IUPAC name of (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol (CID 54519859) is (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol.
What is the SMILES notation for (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol?
The canonical SMILES for (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol is [C-]#[N+]c1ccc(Cn2cncc2C(O)c2ccc(-c3ccccc3)c(F)c2)cc1.
What is the InChIKey of (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol?
The InChIKey is YPACRYOPJNDNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-26-20-10-7-17(8-11-20)15-28-16-27-14-23(28)24(29)19-9-12-21(22(25)13-19)18-5-3-2-4-6-18/h2-14,16,24,29H,15H2.
What are the key properties of (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol?
(3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol has a molecular weight of 383.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-phenylphenyl)-[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methanol is sourced from PubChem (CID 54519859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).