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

C14H13ClF3N3 — CID 106557210

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H13ClF3N3/c1-3-6-21-8-9(2)19-13(21)20-12-5-4-10(15)7-11(12)14(16,17)18/h3-5,7-8H,1,6H2,2H3,(H,19,20)
InChIKeySZFJRYJVEMRVAI-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.79
Rot. Bonds4

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

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine (PubChem CID 106557210) has the molecular formula C14H13ClF3N3 and a molecular weight of 315.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
PubChem CID106557210
Molecular FormulaC14H13ClF3N3
Molecular Weight315.73 g/mol
Exact Mass315.08
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
SMILESC=CCn1cc(C)nc1Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H13ClF3N3/c1-3-6-21-8-9(2)19-13(21)20-12-5-4-10(15)7-11(12)14(16,17)18/h3-5,7-8H,1,6H2,2H3,(H,19,20)
InChIKeySZFJRYJVEMRVAI-UHFFFAOYSA-N
XLogP4.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106576421
N-(2-bromo-5-chloro-4-methylphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106580684
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(4-chloro-3-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 107623858
N-(5-bromo-2-methoxyphenyl)-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106569082
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
5-methyl-N-(4-methyl-1-prop-2-enylimidazol-2-yl)pyridin-3-amine
CID 107587294
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158
2-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882632
N-[4-(difluoromethoxy)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine
CID 106561159
4-methyl-N-(2-methylbutan-2-yl)-1-prop-2-enylimidazol-2-amine
CID 106554780
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914107

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine (CID 106557210) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine is C=CCn1cc(C)nc1Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
The InChIKey is SZFJRYJVEMRVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3/c1-3-6-21-8-9(2)19-13(21)20-12-5-4-10(15)7-11(12)14(16,17)18/h3-5,7-8H,1,6H2,2H3,(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine has a molecular weight of 315.73 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106557210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).