(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine

C23H17ClN2 — CID 134090768

IUPAC(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine
SMILESClc1cccc(/C=N/n2c(-c3ccccc3)ccc2-c2ccccc2)c1
InChIInChI=1S/C23H17ClN2/c24-21-13-7-8-18(16-21)17-25-26-22(19-9-3-1-4-10-19)14-15-23(26)20-11-5-2-6-12-20/h1-17H/b25-17+
InChIKeyLTJFJZRBQYYYPV-KOEQRZSOSA-N
MW356.86 g/mol
LogP6.36
Rot. Bonds4

About (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine

(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine (PubChem CID 134090768) has the molecular formula C23H17ClN2 and a molecular weight of 356.86 g/mol. Its IUPAC name is (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine
PubChem CID134090768
Molecular FormulaC23H17ClN2
Molecular Weight356.86 g/mol
Exact Mass356.11
IUPAC Name(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine
SMILESClc1cccc(/C=N/n2c(-c3ccccc3)ccc2-c2ccccc2)c1
InChIInChI=1S/C23H17ClN2/c24-21-13-7-8-18(16-21)17-25-26-22(19-9-3-1-4-10-19)14-15-23(26)20-11-5-2-6-12-20/h1-17H/b25-17+
InChIKeyLTJFJZRBQYYYPV-KOEQRZSOSA-N
XLogP6.36
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.86
LogP ≤ 56.36
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

3-benzyl-4-[(Z)-(3-chlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 110520264
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
(NZ)-N-[(3-chlorophenyl)methylidene]benzenesulfonamide
CID 110518847
4-[(Z)-(3-chlorophenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
CID 6403953
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
17-[(E)-(3-chlorophenyl)methylideneamino]-14-methyl-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 6890099
17-[(3-chlorophenyl)methylideneamino]-14-methyl-13-phenyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 2008145
(Z)-N-ethyl-3-[(Z)-(3-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7974865
N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2383492
3-butyl-4-[(Z)-(3-chlorophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 7673510
17-[(E)-(3-chlorophenyl)methylideneamino]-13-(2-phenylethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-15-ium-12-one
CID 135649049
3-(3-chlorophenyl)-4-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6878682

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine?
The IUPAC name of (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine (CID 134090768) is (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine?
The canonical SMILES for (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine is Clc1cccc(/C=N/n2c(-c3ccccc3)ccc2-c2ccccc2)c1.
What is the InChIKey of (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine?
The InChIKey is LTJFJZRBQYYYPV-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H17ClN2/c24-21-13-7-8-18(16-21)17-25-26-22(19-9-3-1-4-10-19)14-15-23(26)20-11-5-2-6-12-20/h1-17H/b25-17+.
What are the key properties of (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine?
(E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine has a molecular weight of 356.86 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-chlorophenyl)-N-(2,5-diphenylpyrrol-1-yl)methanimine is sourced from PubChem (CID 134090768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).