[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide

C21H24ClIN2 — CID 10412266

IUPAC[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide
SMILESCc1c(C[N+](C)(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.[I-]
InChIInChI=1S/C21H24ClN2.HI/c1-16-18(15-24(2,3)4)14-21(17-10-12-19(22)13-11-17)23(16)20-8-6-5-7-9-20;/h5-14H,15H2,1-4H3;1H/q+1;/p-1
InChIKeyVXXDFBNCCNORIW-UHFFFAOYSA-M
MW466.79 g/mol
LogP2.32
Rot. Bonds4

About [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide

[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide (PubChem CID 10412266) has the molecular formula C21H24ClIN2 and a molecular weight of 466.79 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide
PubChem CID10412266
Molecular FormulaC21H24ClIN2
Molecular Weight466.79 g/mol
Exact Mass466.07
IUPAC Name[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide
SMILESCc1c(C[N+](C)(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.[I-]
InChIInChI=1S/C21H24ClN2.HI/c1-16-18(15-24(2,3)4)14-21(17-10-12-19(22)13-11-17)23(16)20-8-6-5-7-9-20;/h5-14H,15H2,1-4H3;1H/q+1;/p-1
InChIKeyVXXDFBNCCNORIW-UHFFFAOYSA-M
XLogP2.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.79
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
CID 171342960
1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
CID 171350366
2-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 167311721
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone;sulfane
CID 174584784
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-(4-methylphenyl)methanone
CID 141193496
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpyrrole-3-carboxamide
CID 7307046
2-[2-methyl-5-(4-methylsulfonylphenyl)-1-phenylpyrrol-3-yl]ethanol
CID 66693208
5-(4-chlorophenyl)-2-methyl-1-phenyl-N-propan-2-ylpyrrole-3-carboxamide
CID 7213689
5-(4-chlorophenyl)-N-ethoxy-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7213183
1-[4-[5-(4-chlorophenyl)-1-(3-fluorophenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylethanone
CID 4691657
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylethanone
CID 4273924

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide?
The IUPAC name of [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide (CID 10412266) is [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide is Cc1c(C[N+](C)(C)C)cc(-c2ccc(Cl)cc2)n1-c1ccccc1.[I-].
What is the InChIKey of [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide?
The InChIKey is VXXDFBNCCNORIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H24ClN2.HI/c1-16-18(15-24(2,3)4)14-21(17-10-12-19(22)13-11-17)23(16)20-8-6-5-7-9-20;/h5-14H,15H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide?
[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide has a molecular weight of 466.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 10412266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).