tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate

C20H20FN3O3 — CID 141483095

IUPACtert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2ccccc2n1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3/c1-20(2,3)27-19(26)23-18-22-15-6-4-5-7-16(15)24(18)17(25)12-13-8-10-14(21)11-9-13/h4-11H,12H2,1-3H3,(H,22,23,26)
InChIKeyLSTCSJVQSLXPDF-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate

tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate (PubChem CID 141483095) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
PubChem CID141483095
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Nametert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc2ccccc2n1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H20FN3O3/c1-20(2,3)27-19(26)23-18-22-15-6-4-5-7-16(15)24(18)17(25)12-13-8-10-14(21)11-9-13/h4-11H,12H2,1-3H3,(H,22,23,26)
InChIKeyLSTCSJVQSLXPDF-UHFFFAOYSA-N
XLogP4.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[2-oxo-2-[(1-propylbenzimidazol-2-yl)amino]ethyl]phenyl]carbamate
CID 46557950
ethyl 2-(methoxycarbonylamino)benzimidazole-1-carboxylate
CID 640772
ethyl 2-[[2-(methoxycarbonylamino)benzimidazole-1-carbonyl]amino]acetate
CID 139224349
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl N-[3-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]carbamate
CID 35368095
tert-butyl 2-(2-methoxy-2-oxoethyl)benzimidazole-1-carboxylate
CID 129052197
tert-butyl 2-[[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 71631349
1-[2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]benzimidazol-1-yl]butan-1-one
CID 166172615
tert-butyl N-[[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
CID 97174261
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl 2-(methylaminomethyl)benzimidazole-1-carboxylate
CID 22181895
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate (CID 141483095) is tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc2ccccc2n1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate?
The InChIKey is LSTCSJVQSLXPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-20(2,3)27-19(26)23-18-22-15-6-4-5-7-16(15)24(18)17(25)12-13-8-10-14(21)11-9-13/h4-11H,12H2,1-3H3,(H,22,23,26).
What are the key properties of tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate?
tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate has a molecular weight of 369.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-fluorophenyl)acetyl]benzimidazol-2-yl]carbamate is sourced from PubChem (CID 141483095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).