3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

C14H14FN3OS — CID 24715652

IUPAC3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
SMILESN#CCCn1c(CO)cnc1SCc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-13-5-2-1-4-11(13)10-20-14-17-8-12(9-19)18(14)7-3-6-16/h1-2,4-5,8,19H,3,7,9-10H2
InChIKeyXLVQZKMHKFKEAY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.72
Rot. Bonds6

About 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile

3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile (PubChem CID 24715652) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
PubChem CID24715652
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
SMILESN#CCCn1c(CO)cnc1SCc1ccccc1F
InChIInChI=1S/C14H14FN3OS/c15-13-5-2-1-4-11(13)10-20-14-17-8-12(9-19)18(14)7-3-6-16/h1-2,4-5,8,19H,3,7,9-10H2
InChIKeyXLVQZKMHKFKEAY-UHFFFAOYSA-N
XLogP2.72
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
CID 42795331
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397
3-[2-[(4-bromophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 7348542
2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 18570982
[3-[(2-fluorophenyl)methyl]-2-prop-2-ynylsulfanylimidazol-4-yl]methanol
CID 24715294
[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 7298786
[2-[(2,6-difluorophenyl)methylsulfanyl]-3-prop-2-ynylimidazol-4-yl]methanol
CID 42795286
[2-[(3,5-difluorophenyl)methylsulfanyl]-3-(3,3-diphenylpropyl)imidazol-4-yl]methanol
CID 42797001
4-[[5-(hydroxymethyl)-1-(3-methoxypropyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
CID 42795513
3-[(2-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 2412117
[2-[(4-fluorophenyl)methylsulfanyl]-3-(2-methylpropyl)imidazol-4-yl]methanol
CID 42764227

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile?
The IUPAC name of 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile (CID 24715652) is 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile is N#CCCn1c(CO)cnc1SCc1ccccc1F.
What is the InChIKey of 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile?
The InChIKey is XLVQZKMHKFKEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c15-13-5-2-1-4-11(13)10-20-14-17-8-12(9-19)18(14)7-3-6-16/h1-2,4-5,8,19H,3,7,9-10H2.
What are the key properties of 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile?
3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile has a molecular weight of 291.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile is sourced from PubChem (CID 24715652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).