N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine

C16H13ClIN3 — CID 107605161

IUPACN-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C16H13ClIN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-15-8-7-12(18)9-14(15)17/h2-10H,1H3,(H,19,20)
InChIKeyLBKOGYPCMDKGSF-UHFFFAOYSA-N
MW409.66 g/mol
LogP5.18
Rot. Bonds3

About N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine

N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine (PubChem CID 107605161) has the molecular formula C16H13ClIN3 and a molecular weight of 409.66 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
PubChem CID107605161
Molecular FormulaC16H13ClIN3
Molecular Weight409.66 g/mol
Exact Mass408.98
IUPAC NameN-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(I)cc2Cl)n1
InChIInChI=1S/C16H13ClIN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-15-8-7-12(18)9-14(15)17/h2-10H,1H3,(H,19,20)
InChIKeyLBKOGYPCMDKGSF-UHFFFAOYSA-N
XLogP5.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine (CID 107605161) is N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(Nc2ccc(I)cc2Cl)n1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is LBKOGYPCMDKGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClIN3/c1-11-10-21(13-5-3-2-4-6-13)16(19-11)20-15-8-7-12(18)9-14(15)17/h2-10H,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine?
N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 409.66 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 107605161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).