N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine

C12H12IN3 — CID 106554163

IUPACN-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1Nc1ccc(I)cc1
InChIInChI=1S/C12H12IN3/c1-2-8-16-9-7-14-12(16)15-11-5-3-10(13)4-6-11/h2-7,9H,1,8H2,(H,14,15)
InChIKeyMYHZHFAYSFAZMH-UHFFFAOYSA-N
MW325.15 g/mol
LogP3.42
Rot. Bonds4

About N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine

N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine (PubChem CID 106554163) has the molecular formula C12H12IN3 and a molecular weight of 325.15 g/mol. Its IUPAC name is N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
PubChem CID106554163
Molecular FormulaC12H12IN3
Molecular Weight325.15 g/mol
Exact Mass325.01
IUPAC NameN-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1ccnc1Nc1ccc(I)cc1
InChIInChI=1S/C12H12IN3/c1-2-8-16-9-7-14-12(16)15-11-5-3-10(13)4-6-11/h2-7,9H,1,8H2,(H,14,15)
InChIKeyMYHZHFAYSFAZMH-UHFFFAOYSA-N
XLogP3.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine (CID 106554163) is N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine is C=CCn1ccnc1Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine?
The InChIKey is MYHZHFAYSFAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12IN3/c1-2-8-16-9-7-14-12(16)15-11-5-3-10(13)4-6-11/h2-7,9H,1,8H2,(H,14,15).
What are the key properties of N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine?
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine has a molecular weight of 325.15 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106554163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).