2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

C12H10ClN3O2 — CID 66751481

IUPAC2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCC1(C)NC(=O)N(c2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C12H10ClN3O2/c1-12(2)10(17)16(11(18)15-12)8-4-3-7(6-14)9(13)5-8/h3-5H,1-2H3,(H,15,18)
InChIKeyYTFQQRLSQRYLOK-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.05
Rot. Bonds1

About 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile

2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (PubChem CID 66751481) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
PubChem CID66751481
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile
SMILESCC1(C)NC(=O)N(c2ccc(C#N)c(Cl)c2)C1=O
InChIInChI=1S/C12H10ClN3O2/c1-12(2)10(17)16(11(18)15-12)8-4-3-7(6-14)9(13)5-8/h3-5H,1-2H3,(H,15,18)
InChIKeyYTFQQRLSQRYLOK-UHFFFAOYSA-N
XLogP2.05
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The IUPAC name of 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile (CID 66751481) is 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile.
What is the SMILES notation for 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The canonical SMILES for 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is CC1(C)NC(=O)N(c2ccc(C#N)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
The InChIKey is YTFQQRLSQRYLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-12(2)10(17)16(11(18)15-12)8-4-3-7(6-14)9(13)5-8/h3-5H,1-2H3,(H,15,18).
What are the key properties of 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile?
2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile has a molecular weight of 263.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)benzonitrile is sourced from PubChem (CID 66751481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).