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

C13H16FN3 — CID 63109262

IUPACN-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyUJARRYGJIZZACB-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.71
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 63109262) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID63109262
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C13H16FN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeyUJARRYGJIZZACB-UHFFFAOYSA-N
XLogP2.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 63109262) is N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is UJARRYGJIZZACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)15-7-12-8-16-13(17-12)10-3-5-11(14)6-4-10/h3-6,8-9,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63109262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).