1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine

C20H19IN2 — CID 3108862

IUPAC1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C
InChIInChI=1S/C20H19IN2/c1-14-6-4-5-7-20(14)22-13-17-12-15(2)23(16(17)3)19-10-8-18(21)9-11-19/h4-13H,1-3H3/b22-13+
InChIKeyYFLWRQAYGPEVOD-LPYMAVHISA-N
MW414.29 g/mol
LogP5.76
Rot. Bonds3

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

1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine (PubChem CID 3108862) has the molecular formula C20H19IN2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine
PubChem CID3108862
Molecular FormulaC20H19IN2
Molecular Weight414.29 g/mol
Exact Mass414.06
IUPAC Name1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C
InChIInChI=1S/C20H19IN2/c1-14-6-4-5-7-20(14)22-13-17-12-15(2)23(16(17)3)19-10-8-18(21)9-11-19/h4-13H,1-3H3/b22-13+
InChIKeyYFLWRQAYGPEVOD-LPYMAVHISA-N
XLogP5.76
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.76
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-phenylacetamide
CID 126005475
4-[3-[(2-hydroxyphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 25043484
(E)-1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-piperidin-1-ylmethanimine
CID 6903380
2-[[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzenethiol
CID 126193394
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
methyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]carbamate
CID 6903958
4-[3-[(5-chloro-2-methylphenyl)iminomethyl]-2,5-dimethylpyrrol-1-yl]benzenesulfonamide
CID 25041426
N-(4-tert-butylphenyl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanimine
CID 3123643
3-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzoate
CID 6979232
3-[[2,5-dimethyl-1-(4-sulfamoylphenyl)pyrrol-3-yl]methylideneamino]-4-methylbenzoic acid
CID 25040269
4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]phenol
CID 1275213
N-[[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 2451315

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine (CID 3108862) is 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C.
What is the InChIKey of 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine?
The InChIKey is YFLWRQAYGPEVOD-LPYMAVHISA-N. The full InChI is InChI=1S/C20H19IN2/c1-14-6-4-5-7-20(14)22-13-17-12-15(2)23(16(17)3)19-10-8-18(21)9-11-19/h4-13H,1-3H3/b22-13+.
What are the key properties of 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine?
1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine has a molecular weight of 414.29 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 3108862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).