2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine

C12H13ClFN3 — CID 65459124

IUPAC2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C12H13ClFN3/c1-12(2,15)11-16-6-10(17-11)8-4-3-7(14)5-9(8)13/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyXLSFARFGXNHUCY-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.06
Rot. Bonds2

About 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine

2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 65459124) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID65459124
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(C)(N)c1ncc(-c2ccc(F)cc2Cl)[nH]1
InChIInChI=1S/C12H13ClFN3/c1-12(2,15)11-16-6-10(17-11)8-4-3-7(14)5-9(8)13/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyXLSFARFGXNHUCY-UHFFFAOYSA-N
XLogP3.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine (CID 65459124) is 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine is CC(C)(N)c1ncc(-c2ccc(F)cc2Cl)[nH]1.
What is the InChIKey of 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is XLSFARFGXNHUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-12(2,15)11-16-6-10(17-11)8-4-3-7(14)5-9(8)13/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine?
2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 253.71 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-4-fluorophenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 65459124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).