N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine

C10H9ClIN3 — CID 107605201

IUPACN-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(Nc2ccc(I)cc2Cl)[nH]1
InChIInChI=1S/C10H9ClIN3/c1-6-5-13-10(14-6)15-9-3-2-7(12)4-8(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyBVDHALPCUYNVGN-UHFFFAOYSA-N
MW333.56 g/mol
LogP3.72
Rot. Bonds2

About N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine

N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine (PubChem CID 107605201) has the molecular formula C10H9ClIN3 and a molecular weight of 333.56 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine
PubChem CID107605201
Molecular FormulaC10H9ClIN3
Molecular Weight333.56 g/mol
Exact Mass332.95
IUPAC NameN-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine
SMILESCc1cnc(Nc2ccc(I)cc2Cl)[nH]1
InChIInChI=1S/C10H9ClIN3/c1-6-5-13-10(14-6)15-9-3-2-7(12)4-8(9)11/h2-5H,1H3,(H2,13,14,15)
InChIKeyBVDHALPCUYNVGN-UHFFFAOYSA-N
XLogP3.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chlorophenyl)-5-methyl-1H-imidazol-2-amine
CID 106571131
3-bromo-N-(2-chloro-4-iodophenyl)-5-methylpyridin-2-amine
CID 107607834
N-(5-fluoro-2-methylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559294
5-chloro-4-N-(2-chloro-4-iodophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107604713
2-N-(2-chloro-4-iodophenyl)-6-methylpyridine-2,5-diamine
CID 107606139
4-N-(2-chloro-4-iodophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107604772
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
N-(2,6-dimethylphenyl)-5-methyl-1H-imidazol-2-amine
CID 106559790
5-chloro-6-(2-chloro-4-iodoanilino)pyridine-3-carboxylic acid
CID 107607031
5-methyl-N-(2-propylphenyl)-1H-imidazol-2-amine
CID 106567397
6-chloro-N-(2-chloro-4-iodophenyl)-5-propylpyrimidin-4-amine
CID 107607437
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine (CID 107605201) is N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine is Cc1cnc(Nc2ccc(I)cc2Cl)[nH]1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is BVDHALPCUYNVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClIN3/c1-6-5-13-10(14-6)15-9-3-2-7(12)4-8(9)11/h2-5H,1H3,(H2,13,14,15).
What are the key properties of N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine?
N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 333.56 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 107605201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).