3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

C17H19N3O2 — CID 136564787

IUPAC3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2c1CCOC2)N1CCCC1c1ncc[nH]1
InChIInChI=1S/C17H19N3O2/c21-17(14-4-1-3-12-11-22-10-6-13(12)14)20-9-2-5-15(20)16-18-7-8-19-16/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,18,19)
InChIKeyXCQZXRSSOULLID-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.46
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 136564787) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID136564787
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2c1CCOC2)N1CCCC1c1ncc[nH]1
InChIInChI=1S/C17H19N3O2/c21-17(14-4-1-3-12-11-22-10-6-13(12)14)20-9-2-5-15(20)16-18-7-8-19-16/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,18,19)
InChIKeyXCQZXRSSOULLID-UHFFFAOYSA-N
XLogP2.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone (CID 136564787) is 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1cccc2c1CCOC2)N1CCCC1c1ncc[nH]1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XCQZXRSSOULLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(14-4-1-3-12-11-22-10-6-13(12)14)20-9-2-5-15(20)16-18-7-8-19-16/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,18,19).
What are the key properties of 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone?
3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-5-yl-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).