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

C13H13FIN3 — CID 106576421

IUPACN-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(F)cc1I
InChIInChI=1S/C13H13FIN3/c1-3-6-18-8-9(2)16-13(18)17-12-5-4-10(14)7-11(12)15/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyKKVXDBPNRVDBRY-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.86
Rot. Bonds4

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

N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106576421) has the molecular formula C13H13FIN3 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106576421
Molecular FormulaC13H13FIN3
Molecular Weight357.17 g/mol
Exact Mass357.01
IUPAC NameN-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(F)cc1I
InChIInChI=1S/C13H13FIN3/c1-3-6-18-8-9(2)16-13(18)17-12-5-4-10(14)7-11(12)15/h3-5,7-8H,1,6H2,2H3,(H,16,17)
InChIKeyKKVXDBPNRVDBRY-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.86
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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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106557210
1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
CID 106576412
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569082
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
CID 107587294
N-(2-chloro-4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554114
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159
N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106555768
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
CID 106560821
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554281

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106576421) is N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(F)cc1I.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is KKVXDBPNRVDBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3/c1-3-6-18-8-9(2)16-13(18)17-12-5-4-10(14)7-11(12)15/h3-5,7-8H,1,6H2,2H3,(H,16,17).
What are the key properties of N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine?
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 357.17 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106576421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).