1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol

C22H19ClN2O — CID 156563934

IUPAC1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol
SMILESOC1(c2ncc(N=C(c3ccccc3)c3ccccc3)cc2Cl)CCC1
InChIInChI=1S/C22H19ClN2O/c23-19-14-18(15-24-21(19)22(26)12-7-13-22)25-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15,26H,7,12-13H2
InChIKeyGJAJYAUPEZAQSH-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.28
Rot. Bonds4

About 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol

1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol (PubChem CID 156563934) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol
PubChem CID156563934
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol
SMILESOC1(c2ncc(N=C(c3ccccc3)c3ccccc3)cc2Cl)CCC1
InChIInChI=1S/C22H19ClN2O/c23-19-14-18(15-24-21(19)22(26)12-7-13-22)25-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15,26H,7,12-13H2
InChIKeyGJAJYAUPEZAQSH-UHFFFAOYSA-N
XLogP5.28
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.28
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-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol (CID 156563934) is 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol is OC1(c2ncc(N=C(c3ccccc3)c3ccccc3)cc2Cl)CCC1.
What is the InChIKey of 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is GJAJYAUPEZAQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c23-19-14-18(15-24-21(19)22(26)12-7-13-22)25-20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,14-15,26H,7,12-13H2.
What are the key properties of 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol?
1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 362.86 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(benzhydrylideneamino)-3-chloro-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 156563934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).