(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine

C12H14FIN4 — CID 163791130

IUPAC(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine
SMILESC/C(N)=C(\NC1CC=C(I)C=C1F)n1ccnc1
InChIInChI=1S/C12H14FIN4/c1-8(15)12(18-5-4-16-7-18)17-11-3-2-9(14)6-10(11)13/h2,4-7,11,17H,3,15H2,1H3/b12-8-
InChIKeyMWVMDBWVAAHPEF-WQLSENKSSA-N
MW360.17 g/mol
LogP2.52
Rot. Bonds3

About (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine

(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine (PubChem CID 163791130) has the molecular formula C12H14FIN4 and a molecular weight of 360.17 g/mol. Its IUPAC name is (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine
PubChem CID163791130
Molecular FormulaC12H14FIN4
Molecular Weight360.17 g/mol
Exact Mass360.02
IUPAC Name(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine
SMILESC/C(N)=C(\NC1CC=C(I)C=C1F)n1ccnc1
InChIInChI=1S/C12H14FIN4/c1-8(15)12(18-5-4-16-7-18)17-11-3-2-9(14)6-10(11)13/h2,4-7,11,17H,3,15H2,1H3/b12-8-
InChIKeyMWVMDBWVAAHPEF-WQLSENKSSA-N
XLogP2.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine (CID 163791130) is (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine is C/C(N)=C(\NC1CC=C(I)C=C1F)n1ccnc1.
What is the InChIKey of (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine?
The InChIKey is MWVMDBWVAAHPEF-WQLSENKSSA-N. The full InChI is InChI=1S/C12H14FIN4/c1-8(15)12(18-5-4-16-7-18)17-11-3-2-9(14)6-10(11)13/h2,4-7,11,17H,3,15H2,1H3/b12-8-.
What are the key properties of (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine?
(Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine has a molecular weight of 360.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(2-fluoro-4-iodocyclohexa-2,4-dien-1-yl)-1-imidazol-1-ylprop-1-ene-1,2-diamine is sourced from PubChem (CID 163791130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).