[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone

C20H22N4O2 — CID 25338907

IUPAC[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1Cc1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C20H22N4O2/c25-20(23-7-3-4-8-23)18-10-16-17(22-13-21-16)12-24(18)11-15-9-14-5-1-2-6-19(14)26-15/h1-2,5-6,9,13,18H,3-4,7-8,10-12H2,(H,21,22)/t18-/m0/s1
InChIKeyORAZGUACCORASG-SFHVURJKSA-N
MW350.42 g/mol
LogP2.71
Rot. Bonds3

About [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone

[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25338907) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
PubChem CID25338907
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@@H]1Cc2nc[nH]c2CN1Cc1cc2ccccc2o1)N1CCCC1
InChIInChI=1S/C20H22N4O2/c25-20(23-7-3-4-8-23)18-10-16-17(22-13-21-16)12-24(18)11-15-9-14-5-1-2-6-19(14)26-15/h1-2,5-6,9,13,18H,3-4,7-8,10-12H2,(H,21,22)/t18-/m0/s1
InChIKeyORAZGUACCORASG-SFHVURJKSA-N
XLogP2.71
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone (CID 25338907) is [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is O=C([C@@H]1Cc2nc[nH]c2CN1Cc1cc2ccccc2o1)N1CCCC1.
What is the InChIKey of [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ORAZGUACCORASG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(23-7-3-4-8-23)18-10-16-17(22-13-21-16)12-24(18)11-15-9-14-5-1-2-6-19(14)26-15/h1-2,5-6,9,13,18H,3-4,7-8,10-12H2,(H,21,22)/t18-/m0/s1.
What are the key properties of [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone?
[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 350.42 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25338907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).