2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile

C19H16FN3OS — CID 42795331

IUPAC2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1ncc(CO)n1Cc1ccccc1F
InChIInChI=1S/C19H16FN3OS/c20-18-8-4-3-6-15(18)11-23-17(12-24)10-22-19(23)25-13-16-7-2-1-5-14(16)9-21/h1-8,10,24H,11-13H2
InChIKeyYPQXFTUBGMDOLM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.73
Rot. Bonds6

About 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile

2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile (PubChem CID 42795331) has the molecular formula C19H16FN3OS and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
PubChem CID42795331
Molecular FormulaC19H16FN3OS
Molecular Weight353.42 g/mol
Exact Mass353.10
IUPAC Name2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
SMILESN#Cc1ccccc1CSc1ncc(CO)n1Cc1ccccc1F
InChIInChI=1S/C19H16FN3OS/c20-18-8-4-3-6-15(18)11-23-17(12-24)10-22-19(23)25-13-16-7-2-1-5-14(16)9-21/h1-8,10,24H,11-13H2
InChIKeyYPQXFTUBGMDOLM-UHFFFAOYSA-N
XLogP3.73
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 24715652
[3-[(2-fluorophenyl)methyl]-2-prop-2-ynylsulfanylimidazol-4-yl]methanol
CID 24715294
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397
[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 7298786
2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 18570982
[2-[(2,6-difluorophenyl)methylsulfanyl]-3-prop-2-ynylimidazol-4-yl]methanol
CID 42795286
2-[4-[[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylmethyl]phenyl]benzonitrile
CID 111536894
methyl 4-[[5-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanylmethyl]benzoate
CID 42795387
[2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanol
CID 18589634
2-[(5-chloro-2-pyridinyl)sulfanylmethyl]benzonitrile
CID 60732942
2,3-dibromo-1-[(2-fluorophenyl)methyl]-4-hydroxypyrrolo[2,3-c]pyridine-7-carbonitrile
CID 141190995

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile?
The IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile (CID 42795331) is 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile.
What is the SMILES notation for 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile?
The canonical SMILES for 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile is N#Cc1ccccc1CSc1ncc(CO)n1Cc1ccccc1F.
What is the InChIKey of 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile?
The InChIKey is YPQXFTUBGMDOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3OS/c20-18-8-4-3-6-15(18)11-23-17(12-24)10-22-19(23)25-13-16-7-2-1-5-14(16)9-21/h1-8,10,24H,11-13H2.
What are the key properties of 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile?
2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile has a molecular weight of 353.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile is sourced from PubChem (CID 42795331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).