[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone

C19H16INO — CID 59430754

IUPAC[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2ccc(I)cc2)cc1
InChIInChI=1S/C19H16INO/c1-14-4-8-16(9-5-14)19(22)18-3-2-12-21(18)13-15-6-10-17(20)11-7-15/h2-12H,13H2,1H3
InChIKeyMGZQDFDGGSDRTC-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.68
Rot. Bonds4

About [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone

[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone (PubChem CID 59430754) has the molecular formula C19H16INO and a molecular weight of 401.25 g/mol. Its IUPAC name is [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
PubChem CID59430754
Molecular FormulaC19H16INO
Molecular Weight401.25 g/mol
Exact Mass401.03
IUPAC Name[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccn2Cc2ccc(I)cc2)cc1
InChIInChI=1S/C19H16INO/c1-14-4-8-16(9-5-14)19(22)18-3-2-12-21(18)13-15-6-10-17(20)11-7-15/h2-12H,13H2,1H3
InChIKeyMGZQDFDGGSDRTC-UHFFFAOYSA-N
XLogP4.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone 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

(4-chlorophenyl)-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methanone
CID 177375481
[1-[(2-hydroxyphenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 71083233
N-(2,6-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124086
(4-ethylphenyl)-(1-prop-2-enylpyrrol-2-yl)methanone
CID 23117004
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124108
2-methyl-2-[[4-[3-[2-(4-methylbenzoyl)pyrrol-1-yl]propyl]phenyl]methoxy]propanoic acid
CID 59792831
3-[[2-(4-methylbenzoyl)pyrrol-1-yl]methyl]quinoline-4-carboxamide
CID 20740458
[1-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 67511852
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
N-cyclohexyl-2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-2-oxoacetamide
CID 53124080
[1-[(E)-3-(4-chloro-3-hydroxyphenyl)prop-2-enyl]pyrrol-2-yl]-(4-methylphenyl)methanone
CID 89258991
2-[1-[(4-methylphenyl)methyl]pyrrol-2-yl]-N-naphthalen-1-yl-2-oxoacetamide
CID 53124150

Frequently Asked Questions

What is the IUPAC name of [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone (CID 59430754) is [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccn2Cc2ccc(I)cc2)cc1.
What is the InChIKey of [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
The InChIKey is MGZQDFDGGSDRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16INO/c1-14-4-8-16(9-5-14)19(22)18-3-2-12-21(18)13-15-6-10-17(20)11-7-15/h2-12H,13H2,1H3.
What are the key properties of [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone?
[1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone has a molecular weight of 401.25 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-iodophenyl)methyl]pyrrol-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 59430754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).