N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine

C13H15ClFN3 — CID 106568967

IUPACN-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-9(2)8-18-6-5-16-13(18)17-12-4-3-10(14)7-11(12)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyXHUPYRGYYOFVEV-UHFFFAOYSA-N
MW267.74 g/mol
LogP4.08
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine

N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine (PubChem CID 106568967) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
PubChem CID106568967
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
SMILESCC(C)Cn1ccnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3/c1-9(2)8-18-6-5-16-13(18)17-12-4-3-10(14)7-11(12)15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyXHUPYRGYYOFVEV-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106556363
N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568955
N-(2-chloro-6-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106582336
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106580673
N-[(2-chloro-4-fluorophenyl)methyl]-1-(2-methylpropyl)imidazol-2-amine
CID 100663003
N-(2,4-dichlorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106556357
1-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556215
N-(4-chloro-2-iodophenyl)-1-propan-2-ylimidazol-2-amine
CID 107628310
N-(2-fluoro-4-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106560415
1-(2-methylpropyl)-N-(4-propylphenyl)imidazol-2-amine
CID 106561544
1-prop-2-enyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570738
N-[2-(3,5-difluorophenyl)ethyl]-1-(2-methylpropyl)imidazol-2-amine
CID 106570314

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine (CID 106568967) is N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine is CC(C)Cn1ccnc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine?
The InChIKey is XHUPYRGYYOFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-9(2)8-18-6-5-16-13(18)17-12-4-3-10(14)7-11(12)15/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine?
N-(4-chloro-2-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine has a molecular weight of 267.74 g/mol, XLogP of 4.08, 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-fluorophenyl)-1-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106568967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).