N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine

C12H13ClIN3 — CID 107628310

IUPACN-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H13ClIN3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyDOBASQINPBWBHL-UHFFFAOYSA-N
MW361.61 g/mol
LogP4.47
Rot. Bonds3

About N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine

N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 107628310) has the molecular formula C12H13ClIN3 and a molecular weight of 361.61 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
PubChem CID107628310
Molecular FormulaC12H13ClIN3
Molecular Weight361.61 g/mol
Exact Mass360.98
IUPAC NameN-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
SMILESCC(C)n1ccnc1Nc1ccc(Cl)cc1I
InChIInChI=1S/C12H13ClIN3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16)
InChIKeyDOBASQINPBWBHL-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.61
LogP ≤ 54.47
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)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine (CID 107628310) is N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine is CC(C)n1ccnc1Nc1ccc(Cl)cc1I.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is DOBASQINPBWBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClIN3/c1-8(2)17-6-5-15-12(17)16-11-4-3-9(13)7-10(11)14/h3-8H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine?
N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 361.61 g/mol, XLogP of 4.47, 3 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)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 107628310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).