1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide

C20H24BrN3 — CID 20512442

IUPAC1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide
SMILES[H]/N=C(\Br)C1N(c2c(C)cccc2C)CCN1c1c(C)cccc1C
InChIInChI=1S/C20H24BrN3/c1-13-7-5-8-14(2)17(13)23-11-12-24(20(23)19(21)22)18-15(3)9-6-10-16(18)4/h5-10,20,22H,11-12H2,1-4H3/b22-19-
InChIKeyVGEARAVOQOSEKX-QOCHGBHMSA-N
MW386.34 g/mol
LogP4.95
Rot. Bonds3

About 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide

1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide (PubChem CID 20512442) has the molecular formula C20H24BrN3 and a molecular weight of 386.34 g/mol. Its IUPAC name is 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide.

Molecular Properties

Compound Name1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide
PubChem CID20512442
Molecular FormulaC20H24BrN3
Molecular Weight386.34 g/mol
Exact Mass385.12
IUPAC Name1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide
SMILES[H]/N=C(\Br)C1N(c2c(C)cccc2C)CCN1c1c(C)cccc1C
InChIInChI=1S/C20H24BrN3/c1-13-7-5-8-14(2)17(13)23-11-12-24(20(23)19(21)22)18-15(3)9-6-10-16(18)4/h5-10,20,22H,11-12H2,1-4H3/b22-19-
InChIKeyVGEARAVOQOSEKX-QOCHGBHMSA-N
XLogP4.95
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide?
The IUPAC name of 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide (CID 20512442) is 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide.
What is the SMILES notation for 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide?
The canonical SMILES for 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide is [H]/N=C(\Br)C1N(c2c(C)cccc2C)CCN1c1c(C)cccc1C.
What is the InChIKey of 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide?
The InChIKey is VGEARAVOQOSEKX-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H24BrN3/c1-13-7-5-8-14(2)17(13)23-11-12-24(20(23)19(21)22)18-15(3)9-6-10-16(18)4/h5-10,20,22H,11-12H2,1-4H3/b22-19-.
What are the key properties of 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide?
1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide has a molecular weight of 386.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,6-dimethylphenyl)imidazolidine-2-carboximidoyl bromide is sourced from PubChem (CID 20512442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).