1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one

C22H25N3O2 — CID 169164484

IUPAC1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccc2o1
InChIInChI=1S/C22H25N3O2/c26-20(10-9-15-5-1-2-6-15)25-12-11-17-21(24-14-23-17)22(25)19-13-16-7-3-4-8-18(16)27-19/h3-4,7-8,13-15,22H,1-2,5-6,9-12H2,(H,23,24)/t22-/m0/s1
InChIKeyHHEZXEKTTXFQIU-QFIPXVFZSA-N
MW363.46 g/mol
LogP4.60
Rot. Bonds4

About 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one

1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one (PubChem CID 169164484) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
PubChem CID169164484
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccc2o1
InChIInChI=1S/C22H25N3O2/c26-20(10-9-15-5-1-2-6-15)25-12-11-17-21(24-14-23-17)22(25)19-13-16-7-3-4-8-18(16)27-19/h3-4,7-8,13-15,22H,1-2,5-6,9-12H2,(H,23,24)/t22-/m0/s1
InChIKeyHHEZXEKTTXFQIU-QFIPXVFZSA-N
XLogP4.60
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one (CID 169164484) is 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCc2[nH]cnc2[C@@H]1c1cc2ccccc2o1.
What is the InChIKey of 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one?
The InChIKey is HHEZXEKTTXFQIU-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-20(10-9-15-5-1-2-6-15)25-12-11-17-21(24-14-23-17)22(25)19-13-16-7-3-4-8-18(16)27-19/h3-4,7-8,13-15,22H,1-2,5-6,9-12H2,(H,23,24)/t22-/m0/s1.
What are the key properties of 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one?
1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one has a molecular weight of 363.46 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 169164484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).