4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile

C19H16Cl2N4OS — CID 44554568

IUPAC4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESCc1cnc(-c2sc(N3CCOCC3)c(C#N)c2-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C19H16Cl2N4OS/c1-11-10-23-18(24-11)17-16(13-3-2-12(20)8-15(13)21)14(9-22)19(27-17)25-4-6-26-7-5-25/h2-3,8,10H,4-7H2,1H3,(H,23,24)
InChIKeyFDMMDJFVLZPITN-UHFFFAOYSA-N
MW419.34 g/mol
LogP5.13
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile

4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile (PubChem CID 44554568) has the molecular formula C19H16Cl2N4OS and a molecular weight of 419.34 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
PubChem CID44554568
Molecular FormulaC19H16Cl2N4OS
Molecular Weight419.34 g/mol
Exact Mass418.04
IUPAC Name4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESCc1cnc(-c2sc(N3CCOCC3)c(C#N)c2-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C19H16Cl2N4OS/c1-11-10-23-18(24-11)17-16(13-3-2-12(20)8-15(13)21)14(9-22)19(27-17)25-4-6-26-7-5-25/h2-3,8,10H,4-7H2,1H3,(H,23,24)
InChIKeyFDMMDJFVLZPITN-UHFFFAOYSA-N
XLogP5.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.34
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dichlorophenyl)-5-(5-methyl-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-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile (CID 44554568) is 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile is Cc1cnc(-c2sc(N3CCOCC3)c(C#N)c2-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The InChIKey is FDMMDJFVLZPITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4OS/c1-11-10-23-18(24-11)17-16(13-3-2-12(20)8-15(13)21)14(9-22)19(27-17)25-4-6-26-7-5-25/h2-3,8,10H,4-7H2,1H3,(H,23,24).
What are the key properties of 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile has a molecular weight of 419.34 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile is sourced from PubChem (CID 44554568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).