N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine

C17H16FN3 — CID 645117

IUPACN-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1
InChIInChI=1S/C17H16FN3/c1-21-16(14-7-9-15(18)10-8-14)12-20-17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyNKLQCSMKTKEDEQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.84
Rot. Bonds4

About N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine

N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine (PubChem CID 645117) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine
PubChem CID645117
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine
SMILESCn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1
InChIInChI=1S/C17H16FN3/c1-21-16(14-7-9-15(18)10-8-14)12-20-17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20)
InChIKeyNKLQCSMKTKEDEQ-UHFFFAOYSA-N
XLogP3.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The IUPAC name of N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine (CID 645117) is N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine.
What is the SMILES notation for N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The canonical SMILES for N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine is Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
The InChIKey is NKLQCSMKTKEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-21-16(14-7-9-15(18)10-8-14)12-20-17(21)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,19,20).
What are the key properties of N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine?
N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine has a molecular weight of 281.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-fluorophenyl)-1-methylimidazol-2-amine is sourced from PubChem (CID 645117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).