2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile

C16H11FN4S — CID 10935807

IUPAC2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)14-15(12-5-8-19-9-6-12)21-16(20-14)22-10-7-18/h1-6,8-9H,10H2,(H,20,21)
InChIKeyBBJOHWSWEWHYBW-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.89
Rot. Bonds4

About 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile

2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile (PubChem CID 10935807) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile
PubChem CID10935807
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)14-15(12-5-8-19-9-6-12)21-16(20-14)22-10-7-18/h1-6,8-9H,10H2,(H,20,21)
InChIKeyBBJOHWSWEWHYBW-UHFFFAOYSA-N
XLogP3.89
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile (CID 10935807) is 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is BBJOHWSWEWHYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c17-13-3-1-11(2-4-13)14-15(12-5-8-19-9-6-12)21-16(20-14)22-10-7-18/h1-6,8-9H,10H2,(H,20,21).
What are the key properties of 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile?
2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 310.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 10935807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).