N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine

C16H22FN3 — CID 106564834

IUPACN-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-4-5-10-18-16-19-12(2)11-20(16)13(3)14-6-8-15(17)9-7-14/h6-9,11,13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyXIJCTKXFHSRVMW-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.15
Rot. Bonds6

About N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine

N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine (PubChem CID 106564834) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
PubChem CID106564834
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-4-5-10-18-16-19-12(2)11-20(16)13(3)14-6-8-15(17)9-7-14/h6-9,11,13H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyXIJCTKXFHSRVMW-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701
1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106566998
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
1-[1-(4-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106565811
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566854
N-butyl-1-(2,2-dimethylpropyl)-4-methylimidazol-2-amine
CID 106563654
N-ethyl-1-[1-(4-fluorophenyl)ethyl]imidazol-2-amine
CID 106564867

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine (CID 106564834) is N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1C(C)c1ccc(F)cc1.
What is the InChIKey of N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
The InChIKey is XIJCTKXFHSRVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-5-10-18-16-19-12(2)11-20(16)13(3)14-6-8-15(17)9-7-14/h6-9,11,13H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine?
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine has a molecular weight of 275.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106564834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).