1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine

C23H26N2 — CID 94845458

IUPAC1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C23H26N2/c1-6-20-7-9-22(10-8-20)24-15-21-14-18(4)25(19(21)5)23-12-16(2)11-17(3)13-23/h7-15H,6H2,1-5H3/b24-15+
InChIKeyXRXSTDQNSZJGTD-BUVRLJJBSA-N
MW330.48 g/mol
LogP6.02
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine

1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine (PubChem CID 94845458) has the molecular formula C23H26N2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
PubChem CID94845458
Molecular FormulaC23H26N2
Molecular Weight330.48 g/mol
Exact Mass330.21
IUPAC Name1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1
InChIInChI=1S/C23H26N2/c1-6-20-7-9-22(10-8-20)24-15-21-14-18(4)25(19(21)5)23-12-16(2)11-17(3)13-23/h7-15H,6H2,1-5H3/b24-15+
InChIKeyXRXSTDQNSZJGTD-BUVRLJJBSA-N
XLogP6.02
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoic acid
CID 94845447
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]methanimine
CID 2321774
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
CID 3123643
1-[4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenyl]ethanone
CID 780818
N-[(E)-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126037561
5-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1120637
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-nitrophenyl)methanimine
CID 126192901
ethyl 3-[3-[[4-(4-methoxyphenoxy)phenyl]iminomethyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 23742045
ethyl 3-[[1-(4-ethoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate
CID 1109672
[4-[3-[[4-(diethylamino)phenyl]iminomethyl]-2,5-dimethylpyrrol-1-yl]phenyl] acetate
CID 1109626
N-[4-[(2S)-butan-2-yl]phenyl]-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanimine
CID 126234909

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine (CID 94845458) is 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine?
The InChIKey is XRXSTDQNSZJGTD-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H26N2/c1-6-20-7-9-22(10-8-20)24-15-21-14-18(4)25(19(21)5)23-12-16(2)11-17(3)13-23/h7-15H,6H2,1-5H3/b24-15+.
What are the key properties of 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine?
1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine has a molecular weight of 330.48 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 94845458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).