3-benzyl-5-(2-fluorophenyl)imidazol-4-amine

C16H14FN3 — CID 62017944

IUPAC3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
SMILESNc1c(-c2ccccc2F)ncn1Cc1ccccc1
InChIInChI=1S/C16H14FN3/c17-14-9-5-4-8-13(14)15-16(18)20(11-19-15)10-12-6-2-1-3-7-12/h1-9,11H,10,18H2
InChIKeyWCXIFZQQVLTZOQ-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.32
Rot. Bonds3

About 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine

3-benzyl-5-(2-fluorophenyl)imidazol-4-amine (PubChem CID 62017944) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
PubChem CID62017944
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name3-benzyl-5-(2-fluorophenyl)imidazol-4-amine
SMILESNc1c(-c2ccccc2F)ncn1Cc1ccccc1
InChIInChI=1S/C16H14FN3/c17-14-9-5-4-8-13(14)15-16(18)20(11-19-15)10-12-6-2-1-3-7-12/h1-9,11H,10,18H2
InChIKeyWCXIFZQQVLTZOQ-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine?
The IUPAC name of 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine (CID 62017944) is 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine?
The canonical SMILES for 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine is Nc1c(-c2ccccc2F)ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine?
The InChIKey is WCXIFZQQVLTZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-14-9-5-4-8-13(14)15-16(18)20(11-19-15)10-12-6-2-1-3-7-12/h1-9,11H,10,18H2.
What are the key properties of 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine?
3-benzyl-5-(2-fluorophenyl)imidazol-4-amine has a molecular weight of 267.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-fluorophenyl)imidazol-4-amine is sourced from PubChem (CID 62017944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).