2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile

C23H18FN3O — CID 57028373

IUPAC2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
SMILESCc1ncc(Cc2cccc3ccc(O)cc23)n1Cc1ccc(C#N)c(F)c1
InChIInChI=1S/C23H18FN3O/c1-15-26-13-20(27(15)14-16-5-6-19(12-25)23(24)9-16)10-18-4-2-3-17-7-8-21(28)11-22(17)18/h2-9,11,13,28H,10,14H2,1H3
InChIKeyJNBDLBRFDUQYLJ-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.70
Rot. Bonds4

About 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile

2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile (PubChem CID 57028373) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
PubChem CID57028373
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC Name2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
SMILESCc1ncc(Cc2cccc3ccc(O)cc23)n1Cc1ccc(C#N)c(F)c1
InChIInChI=1S/C23H18FN3O/c1-15-26-13-20(27(15)14-16-5-6-19(12-25)23(24)9-16)10-18-4-2-3-17-7-8-21(28)11-22(17)18/h2-9,11,13,28H,10,14H2,1H3
InChIKeyJNBDLBRFDUQYLJ-UHFFFAOYSA-N
XLogP4.70
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile (CID 57028373) is 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile is Cc1ncc(Cc2cccc3ccc(O)cc23)n1Cc1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile?
The InChIKey is JNBDLBRFDUQYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c1-15-26-13-20(27(15)14-16-5-6-19(12-25)23(24)9-16)10-18-4-2-3-17-7-8-21(28)11-22(17)18/h2-9,11,13,28H,10,14H2,1H3.
What are the key properties of 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile?
2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile has a molecular weight of 371.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-[(7-hydroxynaphthalen-1-yl)methyl]-2-methylimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 57028373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).