N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine

C14H17F2N3 — CID 106556857

IUPACN-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-3-4-7-17-14-18-10(2)9-19(14)13-8-11(15)5-6-12(13)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyTXZFOPVOFCZYRP-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.67
Rot. Bonds5

About N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine

N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine (PubChem CID 106556857) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
PubChem CID106556857
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine
SMILESCCCCNc1nc(C)cn1-c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-3-4-7-17-14-18-10(2)9-19(14)13-8-11(15)5-6-12(13)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyTXZFOPVOFCZYRP-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.67
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

1-(2,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106556858
N-butyl-1-(2-chloro-4-fluorophenyl)-4-methylimidazol-2-amine
CID 106554117
N-butyl-1-(2,5-difluoro-4-methylphenyl)-4-methylimidazol-2-amine
CID 106583625
1-(3-bromo-4-fluorophenyl)-N-butyl-4-methylimidazol-2-amine
CID 106581546
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-(2-bromo-5-fluorophenyl)-N-ethyl-4-methylimidazol-2-amine
CID 107628425
1-(3,5-difluorophenyl)-4-methyl-N-propylimidazol-2-amine
CID 106559729
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554124
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine?
The IUPAC name of N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine (CID 106556857) is N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine is CCCCNc1nc(C)cn1-c1cc(F)ccc1F.
What is the InChIKey of N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine?
The InChIKey is TXZFOPVOFCZYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-4-7-17-14-18-10(2)9-19(14)13-8-11(15)5-6-12(13)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine?
N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine has a molecular weight of 265.31 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,5-difluorophenyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106556857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).