4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile

C19H15ClFIN4OS — CID 70905744

IUPAC4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(-c2ncc(CF)[nH]2)c1-c1ccc(Cl)cc1I
InChIInChI=1S/C19H15ClFIN4OS/c20-11-1-2-13(15(22)7-11)16-14(9-23)19(26-3-5-27-6-4-26)28-17(16)18-24-10-12(8-21)25-18/h1-2,7,10H,3-6,8H2,(H,24,25)
InChIKeyYJHRALXQFMMAFJ-UHFFFAOYSA-N
MW528.78 g/mol
LogP5.24
Rot. Bonds4

About 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile

4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile (PubChem CID 70905744) has the molecular formula C19H15ClFIN4OS and a molecular weight of 528.78 g/mol. Its IUPAC name is 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile
PubChem CID70905744
Molecular FormulaC19H15ClFIN4OS
Molecular Weight528.78 g/mol
Exact Mass527.97
IUPAC Name4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(-c2ncc(CF)[nH]2)c1-c1ccc(Cl)cc1I
InChIInChI=1S/C19H15ClFIN4OS/c20-11-1-2-13(15(22)7-11)16-14(9-23)19(26-3-5-27-6-4-26)28-17(16)18-24-10-12(8-21)25-18/h1-2,7,10H,3-6,8H2,(H,24,25)
InChIKeyYJHRALXQFMMAFJ-UHFFFAOYSA-N
XLogP5.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.78
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile?
The IUPAC name of 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile (CID 70905744) is 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(-c2ncc(CF)[nH]2)c1-c1ccc(Cl)cc1I.
What is the InChIKey of 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile?
The InChIKey is YJHRALXQFMMAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFIN4OS/c20-11-1-2-13(15(22)7-11)16-14(9-23)19(26-3-5-27-6-4-26)28-17(16)18-24-10-12(8-21)25-18/h1-2,7,10H,3-6,8H2,(H,24,25).
What are the key properties of 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile?
4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile has a molecular weight of 528.78 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-iodophenyl)-5-[5-(fluoromethyl)-1H-imidazol-2-yl]-2-morpholin-4-ylthiophene-3-carbonitrile is sourced from PubChem (CID 70905744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).