2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol

C21H20N2O — CID 121256190

IUPAC2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N=C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H20N2O/c1-21(2,24)19-14-13-18(15-22-19)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,24H,1-2H3
InChIKeyUYPZQIHOMNEVKM-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.48
Rot. Bonds4

About 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol

2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol (PubChem CID 121256190) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
PubChem CID121256190
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(N=C(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H20N2O/c1-21(2,24)19-14-13-18(15-22-19)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,24H,1-2H3
InChIKeyUYPZQIHOMNEVKM-UHFFFAOYSA-N
XLogP4.48
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.48
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 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol (CID 121256190) is 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(N=C(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol?
The InChIKey is UYPZQIHOMNEVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-21(2,24)19-14-13-18(15-22-19)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,24H,1-2H3.
What are the key properties of 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol?
2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol has a molecular weight of 316.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 121256190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).