1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine

C14H16F3N3 — CID 106570733

IUPAC1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H16F3N3/c1-3-4-5-20-8-9(2)18-14(20)19-13-7-11(16)10(15)6-12(13)17/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyJUAULXFNPNBUQS-UHFFFAOYSA-N
MW283.30 g/mol
LogP4.15
Rot. Bonds5

About 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine

1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine (PubChem CID 106570733) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
PubChem CID106570733
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
SMILESCCCCn1cc(C)nc1Nc1cc(F)c(F)cc1F
InChIInChI=1S/C14H16F3N3/c1-3-4-5-20-8-9(2)18-14(20)19-13-7-11(16)10(15)6-12(13)17/h6-8H,3-5H2,1-2H3,(H,18,19)
InChIKeyJUAULXFNPNBUQS-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
1-butyl-4-methyl-N-(2,4,6-trifluorophenyl)imidazol-2-amine
CID 106575756
1-butyl-N-(4-fluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106570580
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
1-butyl-N-(2,6-difluoro-3-methylphenyl)-4-methylimidazol-2-amine
CID 106578585
1-butyl-4-methyl-N-(2-methylsulfanylphenyl)imidazol-2-amine
CID 107647476
4-methyl-1-propyl-N-(2,3,5-trifluorophenyl)imidazol-2-amine
CID 106570963
1-butyl-4-methyl-N-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556158
1-butyl-N-(2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106557792
1-butyl-N-(2,3-dichlorophenyl)-4-methylimidazol-2-amine
CID 106560288
1-butyl-N-(2-methoxyphenyl)-4-methylimidazol-2-amine
CID 106555679
1-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-4-methylimidazol-2-amine
CID 106556095

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The IUPAC name of 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine (CID 106570733) is 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine.
What is the SMILES notation for 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The canonical SMILES for 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine is CCCCn1cc(C)nc1Nc1cc(F)c(F)cc1F.
What is the InChIKey of 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
The InChIKey is JUAULXFNPNBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-3-4-5-20-8-9(2)18-14(20)19-13-7-11(16)10(15)6-12(13)17/h6-8H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine?
1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine has a molecular weight of 283.30 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine is sourced from PubChem (CID 106570733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).