methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride

C17H15ClFN3O2 — CID 67547638

IUPACmethyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride
SMILESCOC(=O)Nc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C17H14FN3O2.ClH/c1-23-17(22)21-16-14(11-5-3-2-4-6-11)19-15(20-16)12-7-9-13(18)10-8-12;/h2-10H,1H3,(H,19,20)(H,21,22);1H
InChIKeyKVSNDRCAFSUKEK-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.48
Rot. Bonds3

About methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride

methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride (PubChem CID 67547638) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride.

Molecular Properties

Compound Namemethyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride
PubChem CID67547638
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC Namemethyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride
SMILESCOC(=O)Nc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1.Cl
InChIInChI=1S/C17H14FN3O2.ClH/c1-23-17(22)21-16-14(11-5-3-2-4-6-11)19-15(20-16)12-7-9-13(18)10-8-12;/h2-10H,1H3,(H,19,20)(H,21,22);1H
InChIKeyKVSNDRCAFSUKEK-UHFFFAOYSA-N
XLogP4.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride?
The IUPAC name of methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride (CID 67547638) is methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride.
What is the SMILES notation for methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride?
The canonical SMILES for methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride is COC(=O)Nc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1.Cl.
What is the InChIKey of methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride?
The InChIKey is KVSNDRCAFSUKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2.ClH/c1-23-17(22)21-16-14(11-5-3-2-4-6-11)19-15(20-16)12-7-9-13(18)10-8-12;/h2-10H,1H3,(H,19,20)(H,21,22);1H.
What are the key properties of methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride?
methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride has a molecular weight of 347.78 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-fluorophenyl)-5-phenyl-1H-imidazol-4-yl]carbamate;hydrochloride is sourced from PubChem (CID 67547638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).