[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol

C24H22FN3O — CID 129026385

IUPAC[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol
SMILESCn1c(NC(O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15,23,29H,16H2,1H3,(H,26,27)
InChIKeyCFSRWNAGUWYTRH-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.92
Rot. Bonds6

About [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol

[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol (PubChem CID 129026385) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol
PubChem CID129026385
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol
SMILESCn1c(NC(O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H22FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15,23,29H,16H2,1H3,(H,26,27)
InChIKeyCFSRWNAGUWYTRH-UHFFFAOYSA-N
XLogP4.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol?
The IUPAC name of [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol (CID 129026385) is [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol.
What is the SMILES notation for [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol?
The canonical SMILES for [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol is Cn1c(NC(O)c2ccccc2F)nc(Cc2ccccc2)c1-c1ccccc1.
What is the InChIKey of [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol?
The InChIKey is CFSRWNAGUWYTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-28-22(18-12-6-3-7-13-18)21(16-17-10-4-2-5-11-17)26-24(28)27-23(29)19-14-8-9-15-20(19)25/h2-15,23,29H,16H2,1H3,(H,26,27).
What are the key properties of [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol?
[(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol has a molecular weight of 387.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-benzyl-1-methyl-5-phenylimidazol-2-yl)amino]-(2-fluorophenyl)methanol is sourced from PubChem (CID 129026385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).