N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine

C14H15F2N3O — CID 106561159

IUPACN-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2N3O/c1-3-8-19-9-10(2)17-14(19)18-11-4-6-12(7-5-11)20-13(15)16/h3-7,9,13H,1,8H2,2H3,(H,17,18)
InChIKeyAFRDIBPCTBEINS-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.72
Rot. Bonds6

About N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine

N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106561159) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106561159
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H15F2N3O/c1-3-8-19-9-10(2)17-14(19)18-11-4-6-12(7-5-11)20-13(15)16/h3-7,9,13H,1,8H2,2H3,(H,17,18)
InChIKeyAFRDIBPCTBEINS-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-propan-2-yloxyphenyl)-1-prop-2-enylimidazol-2-amine
CID 106560821
N-(4-ethoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106555768
1-butyl-N-[4-(difluoromethoxy)phenyl]-4-methylimidazol-2-amine
CID 106561131
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
N-(4-fluorophenyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106558695
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
2-[[5-[4-(difluoromethoxy)phenyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 17307655
N-(2,2-dimethylcyclopropyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106564756
4-methyl-N-(3-methylcyclobutyl)-1-prop-2-enylimidazol-2-amine
CID 106581460
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106575425

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106561159) is N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is AFRDIBPCTBEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-8-19-9-10(2)17-14(19)18-11-4-6-12(7-5-11)20-13(15)16/h3-7,9,13H,1,8H2,2H3,(H,17,18).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 279.29 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106561159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).