4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile

C19H15Cl2FN4OS — CID 44554907

IUPAC4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOC(CF)C2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2FN4OS/c20-11-1-2-13(15(21)7-11)16-14(9-23)19(26-5-6-27-12(8-22)10-26)28-17(16)18-24-3-4-25-18/h1-4,7,12H,5-6,8,10H2,(H,24,25)
InChIKeyKNPPIPQNDVWYRP-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.16
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile

4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile (PubChem CID 44554907) has the molecular formula C19H15Cl2FN4OS and a molecular weight of 437.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
PubChem CID44554907
Molecular FormulaC19H15Cl2FN4OS
Molecular Weight437.33 g/mol
Exact Mass436.03
IUPAC Name4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOC(CF)C2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2FN4OS/c20-11-1-2-13(15(21)7-11)16-14(9-23)19(26-5-6-27-12(8-22)10-26)28-17(16)18-24-3-4-25-18/h1-4,7,12H,5-6,8,10H2,(H,24,25)
InChIKeyKNPPIPQNDVWYRP-UHFFFAOYSA-N
XLogP5.16
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile (CID 44554907) is 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile is N#Cc1c(N2CCOC(CF)C2)sc(-c2ncc[nH]2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
The InChIKey is KNPPIPQNDVWYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN4OS/c20-11-1-2-13(15(21)7-11)16-14(9-23)19(26-5-6-27-12(8-22)10-26)28-17(16)18-24-3-4-25-18/h1-4,7,12H,5-6,8,10H2,(H,24,25).
What are the key properties of 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile?
4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile has a molecular weight of 437.33 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile is sourced from PubChem (CID 44554907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).