(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one

C17H15BrN2O3 — CID 177419844

IUPAC(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one
SMILESCn1ccnc1C(=O)C[C@H](c1ccccc1Br)[C@H]1C=CC(=O)O1
InChIInChI=1S/C17H15BrN2O3/c1-20-9-8-19-17(20)14(21)10-12(15-6-7-16(22)23-15)11-4-2-3-5-13(11)18/h2-9,12,15H,10H2,1H3/t12-,15-/m1/s1
InChIKeyFTGAIAFNRDOHCM-IUODEOHRSA-N
MW375.22 g/mol
LogP3.02
Rot. Bonds5

About (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one

(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one (PubChem CID 177419844) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one
PubChem CID177419844
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one
SMILESCn1ccnc1C(=O)C[C@H](c1ccccc1Br)[C@H]1C=CC(=O)O1
InChIInChI=1S/C17H15BrN2O3/c1-20-9-8-19-17(20)14(21)10-12(15-6-7-16(22)23-15)11-4-2-3-5-13(11)18/h2-9,12,15H,10H2,1H3/t12-,15-/m1/s1
InChIKeyFTGAIAFNRDOHCM-IUODEOHRSA-N
XLogP3.02
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one (CID 177419844) is (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one is Cn1ccnc1C(=O)C[C@H](c1ccccc1Br)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one?
The InChIKey is FTGAIAFNRDOHCM-IUODEOHRSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-20-9-8-19-17(20)14(21)10-12(15-6-7-16(22)23-15)11-4-2-3-5-13(11)18/h2-9,12,15H,10H2,1H3/t12-,15-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one has a molecular weight of 375.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]-2H-furan-5-one is sourced from PubChem (CID 177419844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).