[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate

C19H24N2O4 — CID 124780854

IUPAC[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
SMILESCCn1c(=O)n(CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-4-20-13-7-5-6-8-14(13)21(18(20)23)11-15(22)25-17-12-9-10-24-16(12)19(17,2)3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,16-,17-/m1/s1
InChIKeyWLWRLUHUARXMJX-CSMYWGQOSA-N
MW344.41 g/mol
LogP2.18
Rot. Bonds4

About [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate

[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate (PubChem CID 124780854) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
PubChem CID124780854
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
SMILESCCn1c(=O)n(CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2ccccc21
InChIInChI=1S/C19H24N2O4/c1-4-20-13-7-5-6-8-14(13)21(18(20)23)11-15(22)25-17-12-9-10-24-16(12)19(17,2)3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,16-,17-/m1/s1
InChIKeyWLWRLUHUARXMJX-CSMYWGQOSA-N
XLogP2.18
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate with MolForge

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Related Compounds

[(1S)-2-oxocyclohexyl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate
CID 96997327
1-ethyl-3-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]benzimidazol-2-one
CID 43070571
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
1-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 119374924
1-ethyl-3-(3-methyl-2-oxobutyl)benzimidazol-2-one
CID 79395758
ethyl 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 47149271
N-cyclohexyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
CID 16577165
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 18121435
2-[4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]piperidin-1-yl]acetamide
CID 134047876
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18121552
1-ethyl-3-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethyl]benzimidazol-2-one
CID 51319062
2-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177808

Frequently Asked Questions

What is the IUPAC name of [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The IUPAC name of [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate (CID 124780854) is [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate.
What is the SMILES notation for [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The canonical SMILES for [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate is CCn1c(=O)n(CC(=O)O[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c2ccccc21.
What is the InChIKey of [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
The InChIKey is WLWRLUHUARXMJX-CSMYWGQOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-4-20-13-7-5-6-8-14(13)21(18(20)23)11-15(22)25-17-12-9-10-24-16(12)19(17,2)3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,16-,17-/m1/s1.
What are the key properties of [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate?
[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate has a molecular weight of 344.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl] 2-(3-ethyl-2-oxobenzimidazol-1-yl)acetate is sourced from PubChem (CID 124780854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).