N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine

C16H14FN3 — CID 106558735

IUPACN-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3/c1-12-11-20(15-5-3-2-4-6-15)16(18-12)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)
InChIKeyXTGOLSLESHYPKO-UHFFFAOYSA-N
MW267.31 g/mol
LogP4.06
Rot. Bonds3

About N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine

N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106558735) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
PubChem CID106558735
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC NameN-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3/c1-12-11-20(15-5-3-2-4-6-15)16(18-12)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19)
InChIKeyXTGOLSLESHYPKO-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine (CID 106558735) is N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is XTGOLSLESHYPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-12-11-20(15-5-3-2-4-6-15)16(18-12)19-14-9-7-13(17)8-10-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine?
N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 267.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106558735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).