benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate

C26H24FN3O3 — CID 22016815

IUPACbenzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate
SMILESCOc1ccccc1-c1cn(Cc2ccccc2F)c(CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C26H24FN3O3/c1-32-24-14-8-6-12-21(24)23-17-30(16-20-11-5-7-13-22(20)27)25(29-23)15-28-26(31)33-18-19-9-3-2-4-10-19/h2-14,17H,15-16,18H2,1H3,(H,28,31)
InChIKeyIGZVMMYVVRDVGX-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.17
Rot. Bonds8

About benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate

benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate (PubChem CID 22016815) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate
PubChem CID22016815
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Namebenzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate
SMILESCOc1ccccc1-c1cn(Cc2ccccc2F)c(CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C26H24FN3O3/c1-32-24-14-8-6-12-21(24)23-17-30(16-20-11-5-7-13-22(20)27)25(29-23)15-28-26(31)33-18-19-9-3-2-4-10-19/h2-14,17H,15-16,18H2,1H3,(H,28,31)
InChIKeyIGZVMMYVVRDVGX-UHFFFAOYSA-N
XLogP5.17
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate (CID 22016815) is benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate is COc1ccccc1-c1cn(Cc2ccccc2F)c(CNC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate?
The InChIKey is IGZVMMYVVRDVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-32-24-14-8-6-12-21(24)23-17-30(16-20-11-5-7-13-22(20)27)25(29-23)15-28-26(31)33-18-19-9-3-2-4-10-19/h2-14,17H,15-16,18H2,1H3,(H,28,31).
What are the key properties of benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate?
benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate has a molecular weight of 445.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[1-[(2-fluorophenyl)methyl]-4-(2-methoxyphenyl)imidazol-2-yl]methyl]carbamate is sourced from PubChem (CID 22016815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).