N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C11H13ClIN3 — CID 120972439

IUPACN-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClIN3/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDMASKDJOHHVJKC-UHFFFAOYSA-N
MW349.60 g/mol
LogP2.34
Rot. Bonds2

About N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120972439) has the molecular formula C11H13ClIN3 and a molecular weight of 349.60 g/mol. Its IUPAC name is N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120972439
Molecular FormulaC11H13ClIN3
Molecular Weight349.60 g/mol
Exact Mass348.98
IUPAC NameN-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCc1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClIN3/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,14,15)
InChIKeyDMASKDJOHHVJKC-UHFFFAOYSA-N
XLogP2.34
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.60
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120972439) is N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCc1ccc(Cl)cc1I.
What is the InChIKey of N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DMASKDJOHHVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClIN3/c1-16-5-4-14-11(16)15-7-8-2-3-9(12)6-10(8)13/h2-3,6H,4-5,7H2,1H3,(H,14,15).
What are the key properties of N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 349.60 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-iodophenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120972439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).