N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine

C20H17ClN2 — CID 16638355

IUPACN-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine
SMILESCc1ccc(C)c(/C(=N/c2ccc(Cl)cc2)c2ccncc2)c1
InChIInChI=1S/C20H17ClN2/c1-14-3-4-15(2)19(13-14)20(16-9-11-22-12-10-16)23-18-7-5-17(21)6-8-18/h3-13H,1-2H3/b23-20+
InChIKeyACYXBZCZNHHDCQ-BSYVCWPDSA-N
MW320.82 g/mol
LogP5.52
Rot. Bonds3

About N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine

N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine (PubChem CID 16638355) has the molecular formula C20H17ClN2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine
PubChem CID16638355
Molecular FormulaC20H17ClN2
Molecular Weight320.82 g/mol
Exact Mass320.11
IUPAC NameN-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine
SMILESCc1ccc(C)c(/C(=N/c2ccc(Cl)cc2)c2ccncc2)c1
InChIInChI=1S/C20H17ClN2/c1-14-3-4-15(2)19(13-14)20(16-9-11-22-12-10-16)23-18-7-5-17(21)6-8-18/h3-13H,1-2H3/b23-20+
InChIKeyACYXBZCZNHHDCQ-BSYVCWPDSA-N
XLogP5.52
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(dichlorocobalt);1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-N-[4-[[[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-phenylmethylidene]amino]phenyl]-1-phenylmethanimine
CID 20750702
4-chloro-N-[1-(2,5-dimethylphenyl)ethylideneamino]benzamide
CID 689927
(Z)-3-chloro-3-(5-chloro-2-methylphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 82883472
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
N-[(4-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
[[(4-chlorophenyl)-pyridin-4-ylmethylidene]amino] acetate
CID 71948520
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
5-chloro-2-methyl-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11199895
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
N'-(3-chloro-4-methylphenyl)-N-(4-chlorophenyl)-N-hydroxy-4-methylbenzenecarboximidamide
CID 12593810
N-(dipyridin-4-ylmethylideneamino)-1,1-dipyridin-4-ylmethanimine
CID 15883973
[4-(4-chloro-2-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 86814208

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine (CID 16638355) is N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine is Cc1ccc(C)c(/C(=N/c2ccc(Cl)cc2)c2ccncc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine?
The InChIKey is ACYXBZCZNHHDCQ-BSYVCWPDSA-N. The full InChI is InChI=1S/C20H17ClN2/c1-14-3-4-15(2)19(13-14)20(16-9-11-22-12-10-16)23-18-7-5-17(21)6-8-18/h3-13H,1-2H3/b23-20+.
What are the key properties of N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine?
N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine has a molecular weight of 320.82 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-1-pyridin-4-ylmethanimine is sourced from PubChem (CID 16638355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).