N-benzhydryl-1-(2-chlorophenyl)methanimine

C20H16ClN — CID 10968763

IUPACN-benzhydryl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClN/c21-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H/b22-15+
InChIKeyCGYVRIQNIDXLML-PXLXIMEGSA-N
MW305.81 g/mol
LogP5.55
Rot. Bonds4

About N-benzhydryl-1-(2-chlorophenyl)methanimine

N-benzhydryl-1-(2-chlorophenyl)methanimine (PubChem CID 10968763) has the molecular formula C20H16ClN and a molecular weight of 305.81 g/mol. Its IUPAC name is N-benzhydryl-1-(2-chlorophenyl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(2-chlorophenyl)methanimine
PubChem CID10968763
Molecular FormulaC20H16ClN
Molecular Weight305.81 g/mol
Exact Mass305.10
IUPAC NameN-benzhydryl-1-(2-chlorophenyl)methanimine
SMILESClc1ccccc1/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16ClN/c21-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H/b22-15+
InChIKeyCGYVRIQNIDXLML-PXLXIMEGSA-N
XLogP5.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.55
H-Bond Donors ≤ 50
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 N-benzhydryl-1-(2-chlorophenyl)methanimine?
The IUPAC name of N-benzhydryl-1-(2-chlorophenyl)methanimine (CID 10968763) is N-benzhydryl-1-(2-chlorophenyl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(2-chlorophenyl)methanimine?
The canonical SMILES for N-benzhydryl-1-(2-chlorophenyl)methanimine is Clc1ccccc1/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-1-(2-chlorophenyl)methanimine?
The InChIKey is CGYVRIQNIDXLML-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H16ClN/c21-19-14-8-7-13-18(19)15-22-20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20H/b22-15+.
What are the key properties of N-benzhydryl-1-(2-chlorophenyl)methanimine?
N-benzhydryl-1-(2-chlorophenyl)methanimine has a molecular weight of 305.81 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(2-chlorophenyl)methanimine is sourced from PubChem (CID 10968763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).