1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine

C11H12FN3 — CID 63108684

IUPAC1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3/c1-13-6-10-7-14-11(15-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyPESGSUKBQZPTLI-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.94
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine

1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine (PubChem CID 63108684) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
PubChem CID63108684
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2cccc(F)c2)[nH]1
InChIInChI=1S/C11H12FN3/c1-13-6-10-7-14-11(15-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyPESGSUKBQZPTLI-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine (CID 63108684) is 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine is CNCc1cnc(-c2cccc(F)c2)[nH]1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
The InChIKey is PESGSUKBQZPTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-13-6-10-7-14-11(15-10)8-3-2-4-9(12)5-8/h2-5,7,13H,6H2,1H3,(H,14,15).
What are the key properties of 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine?
1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine has a molecular weight of 205.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-1H-imidazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 63108684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).