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

C18H16Cl2N4OS — CID 68529304

IUPAC4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C2=NCCN2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N4OS/c19-11-1-2-12(14(20)9-11)15-13(10-21)18(24-5-7-25-8-6-24)26-16(15)17-22-3-4-23-17/h1-2,9H,3-8H2,(H,22,23)
InChIKeyMLJFMIMNFKVHSL-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.78
Rot. Bonds3

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

4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile (PubChem CID 68529304) has the molecular formula C18H16Cl2N4OS and a molecular weight of 407.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
PubChem CID68529304
Molecular FormulaC18H16Cl2N4OS
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC Name4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)sc(C2=NCCN2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H16Cl2N4OS/c19-11-1-2-12(14(20)9-11)15-13(10-21)18(24-5-7-25-8-6-24)26-16(15)17-22-3-4-23-17/h1-2,9H,3-8H2,(H,22,23)
InChIKeyMLJFMIMNFKVHSL-UHFFFAOYSA-N
XLogP3.78
TPSA60.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89121331
CID 89121331
5-(2-bromoacetyl)-4-(2,4-dichlorophenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
CID 86640157
1-[4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-ylthiophen-2-yl]-1-(2-hydroxyethyl)urea
CID 68639607
4-(2,4-dichlorophenyl)-2-[2-(fluoromethyl)morpholin-4-yl]-5-(1H-imidazol-2-yl)thiophene-3-carbonitrile
CID 44554907
4-(2,4-dichlorophenyl)-2-(2,2-dimethylmorpholin-4-yl)-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
CID 44554569
4-(2,4-dichlorophenyl)-5-(2-hydroxyethylamino)-2-morpholin-4-ylthiophene-3-carbonitrile;N-methylformamide
CID 143838338
4-(2,4-dichlorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
CID 44554904
4-(4-chlorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
CID 70693798
4-cyano-3-(2,4-dichlorophenyl)-N'-methanimidoyl-5-morpholin-4-ylthiophene-2-carboximidamide;ethane;fluoromethane
CID 143914710
4-(5-chloro-2-methylphenyl)-5-formyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 143838353
3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 143838341
2-[5-bromo-4-cyano-3-(2,4-dichlorophenyl)thiophen-2-yl]-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 141277918

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile (CID 68529304) is 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile is N#Cc1c(N2CCOCC2)sc(C2=NCCN2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
The InChIKey is MLJFMIMNFKVHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4OS/c19-11-1-2-12(14(20)9-11)15-13(10-21)18(24-5-7-25-8-6-24)26-16(15)17-22-3-4-23-17/h1-2,9H,3-8H2,(H,22,23).
What are the key properties of 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile?
4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile has a molecular weight of 407.33 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-morpholin-4-ylthiophene-3-carbonitrile is sourced from PubChem (CID 68529304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).