2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile

C13H10Cl2N4 — CID 154372537

IUPAC2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N4/c14-11-3-9(4-12(15)5-11)8-19-2-1-18-13(19)10(6-16)7-17/h3-5,18H,1-2,8H2
InChIKeyTZNRHTRSGCUINY-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.66
Rot. Bonds2

About 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile

2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile (PubChem CID 154372537) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile
PubChem CID154372537
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1NCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H10Cl2N4/c14-11-3-9(4-12(15)5-11)8-19-2-1-18-13(19)10(6-16)7-17/h3-5,18H,1-2,8H2
InChIKeyTZNRHTRSGCUINY-UHFFFAOYSA-N
XLogP2.66
TPSA62.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3,5-dimethylphenyl)methyl]imidazolidin-2-ylidene]propanedinitrile
CID 142181880
2-[1-(3-hydroxypropyl)imidazolidin-2-ylidene]propanedinitrile
CID 86632462
3-[3-[(3,5-dichlorophenyl)methyl]-2-(dicyanomethylidene)imidazolidin-1-yl]propanoic acid
CID 86592982
2-[1-[2-[[4-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
CID 15675413
(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 102012675
1-[(3,5-dichlorophenyl)methyl]-1,4-diazepane
CID 61058216
ethyl 2-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-cyanoacetate
CID 3471874
2-[1-[2-[[5-(morpholin-4-ylmethyl)furan-2-yl]methylamino]ethyl]imidazolidin-2-ylidene]propanedinitrile
CID 10089624
2-[1-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]imidazolidin-2-ylidene]propanedinitrile
CID 139601843
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
CID 11959623
ethyl 3-[2-(dicyanomethylidene)-1,3-diazinan-1-yl]propanoate
CID 150818622

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile (CID 154372537) is 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=C1NCCN1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile?
The InChIKey is TZNRHTRSGCUINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c14-11-3-9(4-12(15)5-11)8-19-2-1-18-13(19)10(6-16)7-17/h3-5,18H,1-2,8H2.
What are the key properties of 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile?
2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile has a molecular weight of 293.16 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dichlorophenyl)methyl]imidazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 154372537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).