1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine

C17H18FN3O — CID 47030543

IUPAC1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)o1
InChIInChI=1S/C17H18FN3O/c1-12-3-8-15(22-12)11-20-16(17-19-9-10-21(17)2)13-4-6-14(18)7-5-13/h3-10,16,20H,11H2,1-2H3
InChIKeyYMAZNDKNYXHEPG-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine

1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 47030543) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine
PubChem CID47030543
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)o1
InChIInChI=1S/C17H18FN3O/c1-12-3-8-15(22-12)11-20-16(17-19-9-10-21(17)2)13-4-6-14(18)7-5-13/h3-10,16,20H,11H2,1-2H3
InChIKeyYMAZNDKNYXHEPG-UHFFFAOYSA-N
XLogP3.34
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine (CID 47030543) is 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine is Cc1ccc(CNC(c2ccc(F)cc2)c2nccn2C)o1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is YMAZNDKNYXHEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12-3-8-15(22-12)11-20-16(17-19-9-10-21(17)2)13-4-6-14(18)7-5-13/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine?
1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 299.35 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(5-methylfuran-2-yl)methyl]-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 47030543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).