[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate

C18H16N2O3 — CID 23582949

IUPAC[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1nc2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(23-13(2)21)17-19-15-10-6-7-11-16(15)20(17)18(22)14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m0/s1
InChIKeyRBNKQANMQVCRIL-LBPRGKRZSA-N
MW308.34 g/mol
LogP3.35
Rot. Bonds3

About [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate

[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate (PubChem CID 23582949) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate
PubChem CID23582949
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate
SMILESCC(=O)O[C@@H](C)c1nc2ccccc2n1C(=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-12(23-13(2)21)17-19-15-10-6-7-11-16(15)20(17)18(22)14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m0/s1
InChIKeyRBNKQANMQVCRIL-LBPRGKRZSA-N
XLogP3.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1-benzoylbenzimidazol-2-yl)ethyl]benzamide
CID 71482011
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl benzoate
CID 18155834
1-benzoyl-N,N-diethylbenzimidazole-2-carboxamide
CID 23945501
[2-[6-(1-benzoylbenzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-yl]-phenylmethanone;vanadium;trichloride
CID 173243678
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 3,5-difluorobenzoate
CID 18155838
[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 1-methylindole-3-carboxylate
CID 52532641
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-methylindole-3-carboxylate
CID 51110128
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 2-methylcyclopropane-1-carboxylate
CID 134011207
[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl] 3-fluorobenzoate
CID 52548700
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 6-methylpyridine-2-carboxylate
CID 134001745
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate?
The IUPAC name of [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate (CID 23582949) is [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate.
What is the SMILES notation for [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate?
The canonical SMILES for [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate is CC(=O)O[C@@H](C)c1nc2ccccc2n1C(=O)c1ccccc1.
What is the InChIKey of [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate?
The InChIKey is RBNKQANMQVCRIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12(23-13(2)21)17-19-15-10-6-7-11-16(15)20(17)18(22)14-8-4-3-5-9-14/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate?
[(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate has a molecular weight of 308.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(1-benzoylbenzimidazol-2-yl)ethyl] acetate is sourced from PubChem (CID 23582949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).