[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine

C11H12FN3 — CID 43649221

IUPAC[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
SMILESCc1[nH]c(CN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyWWSDVQFEPUHXKX-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.98
Rot. Bonds2

About [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine

[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine (PubChem CID 43649221) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
PubChem CID43649221
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
SMILESCc1[nH]c(CN)nc1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15)
InChIKeyWWSDVQFEPUHXKX-UHFFFAOYSA-N
XLogP1.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine?
The IUPAC name of [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine (CID 43649221) is [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine is Cc1[nH]c(CN)nc1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine?
The InChIKey is WWSDVQFEPUHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-7-11(15-10(6-13)14-7)8-2-4-9(12)5-3-8/h2-5H,6,13H2,1H3,(H,14,15).
What are the key properties of [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine?
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 43649221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).