N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine

C18H16N2 — CID 136915435

IUPACN-benzhydryl-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\c1ccc[nH]1
InChIInChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)20-14-17-12-7-13-19-17/h1-14,18-19H/b20-14+
InChIKeyJCTLKWMCFADBLN-XSFVSMFZSA-N
MW260.34 g/mol
LogP4.22
Rot. Bonds4

About N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine

N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine (PubChem CID 136915435) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine.

Molecular Properties

Compound NameN-benzhydryl-1-(1H-pyrrol-2-yl)methanimine
PubChem CID136915435
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC NameN-benzhydryl-1-(1H-pyrrol-2-yl)methanimine
SMILESC(=N/C(c1ccccc1)c1ccccc1)\c1ccc[nH]1
InChIInChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)20-14-17-12-7-13-19-17/h1-14,18-19H/b20-14+
InChIKeyJCTLKWMCFADBLN-XSFVSMFZSA-N
XLogP4.22
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.22
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 N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine?
The IUPAC name of N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine (CID 136915435) is N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine.
What is the SMILES notation for N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine?
The canonical SMILES for N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine is C(=N/C(c1ccccc1)c1ccccc1)\c1ccc[nH]1.
What is the InChIKey of N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine?
The InChIKey is JCTLKWMCFADBLN-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-5-2-6-11-16)20-14-17-12-7-13-19-17/h1-14,18-19H/b20-14+.
What are the key properties of N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine?
N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine has a molecular weight of 260.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-(1H-pyrrol-2-yl)methanimine is sourced from PubChem (CID 136915435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).