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

C17H24FN3 — CID 106571701

IUPACN-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-4-5-10-19-17-20-13(2)12-21(17)14(3)11-15-6-8-16(18)9-7-15/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyGUFTYVMJNIMWED-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.35
Rot. Bonds7

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

N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine (PubChem CID 106571701) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
PubChem CID106571701
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1C(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H24FN3/c1-4-5-10-19-17-20-13(2)12-21(17)14(3)11-15-6-8-16(18)9-7-15/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,20)
InChIKeyGUFTYVMJNIMWED-UHFFFAOYSA-N
XLogP4.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.35
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)ethyl]-4-methylimidazol-2-amine
CID 106564834
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571880
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 106571727
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
CID 106556857
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571835
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
1-[1-(3-fluorophenyl)ethyl]-4-methyl-N-propylimidazol-2-amine
CID 106566998
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106571858

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine (CID 106571701) is N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1C(C)Cc1ccc(F)cc1.
What is the InChIKey of N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine?
The InChIKey is GUFTYVMJNIMWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-4-5-10-19-17-20-13(2)12-21(17)14(3)11-15-6-8-16(18)9-7-15/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine?
N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 4.35, 7 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)propan-2-yl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106571701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).