9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole

C21H15I2N3 — CID 170375287

IUPAC9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole
SMILESCc1c(I)cccc1-n1c(C)nc2cc3c4ccccc4n(I)c3cc21
InChIInChI=1S/C21H15I2N3/c1-12-16(22)7-5-9-18(12)25-13(2)24-17-10-15-14-6-3-4-8-19(14)26(23)20(15)11-21(17)25/h3-11H,1-2H3
InChIKeyGHPROSPETOCNQP-UHFFFAOYSA-N
MW563.18 g/mol
LogP6.55
Rot. Bonds1

About 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole

9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole (PubChem CID 170375287) has the molecular formula C21H15I2N3 and a molecular weight of 563.18 g/mol. Its IUPAC name is 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole.

Molecular Properties

Compound Name9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole
PubChem CID170375287
Molecular FormulaC21H15I2N3
Molecular Weight563.18 g/mol
Exact Mass562.94
IUPAC Name9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole
SMILESCc1c(I)cccc1-n1c(C)nc2cc3c4ccccc4n(I)c3cc21
InChIInChI=1S/C21H15I2N3/c1-12-16(22)7-5-9-18(12)25-13(2)24-17-10-15-14-6-3-4-8-19(14)26(23)20(15)11-21(17)25/h3-11H,1-2H3
InChIKeyGHPROSPETOCNQP-UHFFFAOYSA-N
XLogP6.55
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.18
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole 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

9-(3-iodo-2-methylphenyl)-1-methylpyrido[2,3-b]indol-1-ium
CID 147033622
9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
CID 162427993
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
10-iodo-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 126517456
1-(2-bromophenyl)-2-methylbenzimidazol-5-amine
CID 62507674
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690
3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
CID 82513326
2-methyl-3-(2-methyl-3-trimethylsilyloxyphenyl)quinazolin-4-one
CID 629564
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236099
1-iodo-2,3-dimethylindole
CID 146323818
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498

Frequently Asked Questions

What is the IUPAC name of 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole?
The IUPAC name of 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole (CID 170375287) is 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole.
What is the SMILES notation for 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole?
The canonical SMILES for 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole is Cc1c(I)cccc1-n1c(C)nc2cc3c4ccccc4n(I)c3cc21.
What is the InChIKey of 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole?
The InChIKey is GHPROSPETOCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15I2N3/c1-12-16(22)7-5-9-18(12)25-13(2)24-17-10-15-14-6-3-4-8-19(14)26(23)20(15)11-21(17)25/h3-11H,1-2H3.
What are the key properties of 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole?
9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole has a molecular weight of 563.18 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-1-(3-iodo-2-methylphenyl)-2-methylimidazo[4,5-b]carbazole is sourced from PubChem (CID 170375287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).