tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate

C19H20FN3O2 — CID 123981706

IUPACtert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-19(2,3)25-18(24)23-16(12-8-4-5-9-13(12)20)17-21-14-10-6-7-11-15(14)22-17/h4-11,16H,1-3H3,(H,21,22)(H,23,24)
InChIKeyQCHSTQGZLJXJEV-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.32
Rot. Bonds3

About tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate

tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate (PubChem CID 123981706) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate
PubChem CID123981706
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Nametert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1F
InChIInChI=1S/C19H20FN3O2/c1-19(2,3)25-18(24)23-16(12-8-4-5-9-13(12)20)17-21-14-10-6-7-11-15(14)22-17/h4-11,16H,1-3H3,(H,21,22)(H,23,24)
InChIKeyQCHSTQGZLJXJEV-UHFFFAOYSA-N
XLogP4.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1H-benzimidazol-2-yl-(4-bromophenyl)methyl]carbamate
CID 69192485
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(2,6-difluoro-4-methoxyphenyl)ethyl]carbamate
CID 131748708
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]carbamate
CID 131748710
(2R,3R)-3-(2-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 40787326
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
(2S)-3-(1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15176993
tert-butyl N-[(1S)-1-(2-fluorophenyl)-2-hydroxyethyl]carbamate
CID 86328737
methyl (2S)-2-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 90119449
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
[4-[(2S)-2-(1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]sulfamic acid
CID 167244848
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 77225957
(2R,3S)-3-(2-fluorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7176465

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate (CID 123981706) is tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate is CC(C)(C)OC(=O)NC(c1nc2ccccc2[nH]1)c1ccccc1F.
What is the InChIKey of tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate?
The InChIKey is QCHSTQGZLJXJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-19(2,3)25-18(24)23-16(12-8-4-5-9-13(12)20)17-21-14-10-6-7-11-15(14)22-17/h4-11,16H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate?
tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate has a molecular weight of 341.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1H-benzimidazol-2-yl-(2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 123981706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).