[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate

C17H15F2N3O4 — CID 32739273

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H15F2N3O4/c1-10(20-15(23)13-7-4-8-25-13)16(24)26-9-14-21-11-5-2-3-6-12(11)22(14)17(18)19/h2-8,10,17H,9H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyVIBLEADDJFGWDD-JTQLQIEISA-N
MW363.32 g/mol
LogP2.89
Rot. Bonds6

About [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate

[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate (PubChem CID 32739273) has the molecular formula C17H15F2N3O4 and a molecular weight of 363.32 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
PubChem CID32739273
Molecular FormulaC17H15F2N3O4
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate
SMILESC[C@H](NC(=O)c1ccco1)C(=O)OCc1nc2ccccc2n1C(F)F
InChIInChI=1S/C17H15F2N3O4/c1-10(20-15(23)13-7-4-8-25-13)16(24)26-9-14-21-11-5-2-3-6-12(11)22(14)17(18)19/h2-8,10,17H,9H2,1H3,(H,20,23)/t10-/m0/s1
InChIKeyVIBLEADDJFGWDD-JTQLQIEISA-N
XLogP2.89
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1-phenyltetrazol-5-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate
CID 24530129
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16973977
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16625051
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
methyl 2-[2-(furan-2-carbonylamino)propanoyloxymethyl]furan-3-carboxylate
CID 42936087
[3-(trifluoromethyl)phenyl]methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 2427745
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
(5-phenyl-1,3-oxazol-2-yl)methyl (2R)-2-(furan-2-carbonylamino)propanoate
CID 51900243

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate (CID 32739273) is [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate is C[C@H](NC(=O)c1ccco1)C(=O)OCc1nc2ccccc2n1C(F)F.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
The InChIKey is VIBLEADDJFGWDD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15F2N3O4/c1-10(20-15(23)13-7-4-8-25-13)16(24)26-9-14-21-11-5-2-3-6-12(11)22(14)17(18)19/h2-8,10,17H,9H2,1H3,(H,20,23)/t10-/m0/s1.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate has a molecular weight of 363.32 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 32739273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).