(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine

C21H22ClN — CID 11723731

IUPAC(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
SMILESCC(C)(C)C(/C=C/c1ccccc1)=C/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN/c1-21(2,3)18(10-9-17-7-5-4-6-8-17)15-16-23-20-13-11-19(22)12-14-20/h4-16H,1-3H3/b10-9+,18-15+,23-16+
InChIKeyPWHMXWNDNRHSDF-MJEVZTCYSA-N
MW323.87 g/mol
LogP6.73
Rot. Bonds4

About (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine

(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine (PubChem CID 11723731) has the molecular formula C21H22ClN and a molecular weight of 323.87 g/mol. Its IUPAC name is (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
PubChem CID11723731
Molecular FormulaC21H22ClN
Molecular Weight323.87 g/mol
Exact Mass323.14
IUPAC Name(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine
SMILESCC(C)(C)C(/C=C/c1ccccc1)=C/C=N/c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClN/c1-21(2,3)18(10-9-17-7-5-4-6-8-17)15-16-23-20-13-11-19(22)12-14-20/h4-16H,1-3H3/b10-9+,18-15+,23-16+
InChIKeyPWHMXWNDNRHSDF-MJEVZTCYSA-N
XLogP6.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.87
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(2E,4E)-N-butyl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 10015927
(2E,4E)-N-butan-2-yl-3-tert-butyl-5-phenylpenta-2,4-dien-1-imine
CID 11777882
(E)-N'-(4-chlorophenyl)-3-phenylprop-2-enimidamide
CID 59789908
(Z)-N,3-diphenylprop-2-en-1-imine
CID 40507555
(E)-5-iodo-N,4,4-trimethyl-1-phenylpent-1-en-3-imine
CID 161303073
(Z)-1-[4-(benzylideneamino)phenyl]-3-phenylprop-2-en-1-one
CID 45069295
(Z)-N-hydroxy-3-phenylprop-2-enimidoyl chloride
CID 90280186
1-[4-(cinnamylideneamino)phenyl]ethanone
CID 3705604
(E)-N'-(4-chlorophenyl)-3-[4-(4-phenylpiperazin-1-yl)phenyl]prop-2-enimidamide
CID 59789896
(E)-N-(3-chlorophenyl)-3-phenylprop-2-en-1-imine
CID 6247301
3-(4-chlorophenyl)prop-2-enoic acid;5-phenylpenta-2,4-dienoic acid
CID 173256953

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine (CID 11723731) is (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine is CC(C)(C)C(/C=C/c1ccccc1)=C/C=N/c1ccc(Cl)cc1.
What is the InChIKey of (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine?
The InChIKey is PWHMXWNDNRHSDF-MJEVZTCYSA-N. The full InChI is InChI=1S/C21H22ClN/c1-21(2,3)18(10-9-17-7-5-4-6-8-17)15-16-23-20-13-11-19(22)12-14-20/h4-16H,1-3H3/b10-9+,18-15+,23-16+.
What are the key properties of (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine?
(2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine has a molecular weight of 323.87 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-tert-butyl-N-(4-chlorophenyl)-5-phenylpenta-2,4-dien-1-imine is sourced from PubChem (CID 11723731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).