1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide

C23H32BrN3 — CID 45261451

IUPAC1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide
SMILESBr.[H]N=C1N(c2ccc(C(C)CC)cc2)CCN1c1ccc(C(C)CC)cc1
InChIInChI=1S/C23H31N3.BrH/c1-5-17(3)19-7-11-21(12-8-19)25-15-16-26(23(25)24)22-13-9-20(10-14-22)18(4)6-2;/h7-14,17-18,24H,5-6,15-16H2,1-4H3;1H
InChIKeyYPEQKMIDJFGJKO-UHFFFAOYSA-N
MW430.43 g/mol
LogP6.55
Rot. Bonds6

About 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide

1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide (PubChem CID 45261451) has the molecular formula C23H32BrN3 and a molecular weight of 430.43 g/mol. Its IUPAC name is 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide.

Molecular Properties

Compound Name1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide
PubChem CID45261451
Molecular FormulaC23H32BrN3
Molecular Weight430.43 g/mol
Exact Mass429.18
IUPAC Name1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide
SMILESBr.[H]N=C1N(c2ccc(C(C)CC)cc2)CCN1c1ccc(C(C)CC)cc1
InChIInChI=1S/C23H31N3.BrH/c1-5-17(3)19-7-11-21(12-8-19)25-15-16-26(23(25)24)22-13-9-20(10-14-22)18(4)6-2;/h7-14,17-18,24H,5-6,15-16H2,1-4H3;1H
InChIKeyYPEQKMIDJFGJKO-UHFFFAOYSA-N
XLogP6.55
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide?
The IUPAC name of 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide (CID 45261451) is 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide.
What is the SMILES notation for 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide?
The canonical SMILES for 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide is Br.[H]N=C1N(c2ccc(C(C)CC)cc2)CCN1c1ccc(C(C)CC)cc1.
What is the InChIKey of 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide?
The InChIKey is YPEQKMIDJFGJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3.BrH/c1-5-17(3)19-7-11-21(12-8-19)25-15-16-26(23(25)24)22-13-9-20(10-14-22)18(4)6-2;/h7-14,17-18,24H,5-6,15-16H2,1-4H3;1H.
What are the key properties of 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide?
1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide has a molecular weight of 430.43 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-butan-2-ylphenyl)imidazolidin-2-imine;hydrobromide is sourced from PubChem (CID 45261451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).