(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine

C23H21NO — CID 101022978

IUPAC(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/C=C/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-25-22-17-9-8-11-19(22)16-10-18-24-23(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-18,23H,1H3/b16-10+,24-18+
InChIKeyJDHPCBHMBPLXKI-JKDHJYAGSA-N
MW327.43 g/mol
LogP5.57
Rot. Bonds6

About (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine

(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine (PubChem CID 101022978) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
PubChem CID101022978
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/C=C/C=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c1-25-22-17-9-8-11-19(22)16-10-18-24-23(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-18,23H,1H3/b16-10+,24-18+
InChIKeyJDHPCBHMBPLXKI-JKDHJYAGSA-N
XLogP5.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine (CID 101022978) is (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine is COc1ccccc1/C=C/C=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is JDHPCBHMBPLXKI-JKDHJYAGSA-N. The full InChI is InChI=1S/C23H21NO/c1-25-22-17-9-8-11-19(22)16-10-18-24-23(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-18,23H,1H3/b16-10+,24-18+.
What are the key properties of (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine?
(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 327.43 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 101022978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).