N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H16IN3O — CID 106554281

IUPACN-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccccc1I
InChIInChI=1S/C13H16IN3O/c1-10-9-17(7-8-18-2)13(15-10)16-12-6-4-3-5-11(12)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyOMNNBXPYMMQDPE-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.19
Rot. Bonds5

About N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106554281) has the molecular formula C13H16IN3O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106554281
Molecular FormulaC13H16IN3O
Molecular Weight357.20 g/mol
Exact Mass357.03
IUPAC NameN-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccccc1I
InChIInChI=1S/C13H16IN3O/c1-10-9-17(7-8-18-2)13(15-10)16-12-6-4-3-5-11(12)14/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyOMNNBXPYMMQDPE-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-4-ylmethyl)aniline
CID 13178307
4-(2-(Phenylamino)ethyl)-1H-imidazole
CID 46222042
Ethyl-(3H-imidazol-4-ylmethyl)-phenyl-amine
CID 24946957
N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24946958
N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
CID 24946961
1-Phenyl-1H-imidazol-2-amine
CID 13805405
1-(2-Methoxy-ethyl)-5-phenyl-1H-imidazol-2-ylamine
CID 3160437
Imidazole, 5-methyl-1-phenyl-2-(pyrrolidinyl)-
CID 3044985
(1-phenyl-1H-imidazol-2-yl)methanol
CID 277166
4-(4,5-dimethyl-1H-imidazol-1-yl)aniline
CID 62351058
N-(2-fluorophenyl)-3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 91923568
(3-(1H-Imidazol-1-yl)propyl)-2-cyano-3-phenylguanidine
CID 11492713

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106554281) is N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1Nc1ccccc1I.
What is the InChIKey of N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is OMNNBXPYMMQDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O/c1-10-9-17(7-8-18-2)13(15-10)16-12-6-4-3-5-11(12)14/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 357.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).