3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol

C19H30N6O — CID 24888027

IUPAC3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol
SMILESCN1CCN(C)C1=Nc1ccc(CCCO)cc1N=C1N(C)CCN1C
InChIInChI=1S/C19H30N6O/c1-22-9-10-23(2)18(22)20-16-8-7-15(6-5-13-26)14-17(16)21-19-24(3)11-12-25(19)4/h7-8,14,26H,5-6,9-13H2,1-4H3
InChIKeyVSLGFHSDGJZYCW-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.34
Rot. Bonds5

About 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol

3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol (PubChem CID 24888027) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol
PubChem CID24888027
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol
SMILESCN1CCN(C)C1=Nc1ccc(CCCO)cc1N=C1N(C)CCN1C
InChIInChI=1S/C19H30N6O/c1-22-9-10-23(2)18(22)20-16-8-7-15(6-5-13-26)14-17(16)21-19-24(3)11-12-25(19)4/h7-8,14,26H,5-6,9-13H2,1-4H3
InChIKeyVSLGFHSDGJZYCW-UHFFFAOYSA-N
XLogP1.34
TPSA57.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.34
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 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol?
The IUPAC name of 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol (CID 24888027) is 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol is CN1CCN(C)C1=Nc1ccc(CCCO)cc1N=C1N(C)CCN1C.
What is the InChIKey of 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol?
The InChIKey is VSLGFHSDGJZYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-22-9-10-23(2)18(22)20-16-8-7-15(6-5-13-26)14-17(16)21-19-24(3)11-12-25(19)4/h7-8,14,26H,5-6,9-13H2,1-4H3.
What are the key properties of 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol?
3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol has a molecular weight of 358.49 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-bis[(1,3-dimethylimidazolidin-2-ylidene)amino]phenyl]propan-1-ol is sourced from PubChem (CID 24888027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).