5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one

C20H23N5O2 — CID 146343481

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one
SMILESO=C1c2nc[nH]c2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C20H23N5O2/c26-20-19-16(21-13-22-19)7-10-25(20)12-11-24-8-5-14(6-9-24)18-15-3-1-2-4-17(15)27-23-18/h1-4,13-14H,5-12H2,(H,21,22)
InChIKeyBAIXKGAZCOGILC-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.43
Rot. Bonds4

About 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one (PubChem CID 146343481) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one
PubChem CID146343481
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one
SMILESO=C1c2nc[nH]c2CCN1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C20H23N5O2/c26-20-19-16(21-13-22-19)7-10-25(20)12-11-24-8-5-14(6-9-24)18-15-3-1-2-4-17(15)27-23-18/h1-4,13-14H,5-12H2,(H,21,22)
InChIKeyBAIXKGAZCOGILC-UHFFFAOYSA-N
XLogP2.43
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one (CID 146343481) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one is O=C1c2nc[nH]c2CCN1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is BAIXKGAZCOGILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20-19-16(21-13-22-19)7-10-25(20)12-11-24-8-5-14(6-9-24)18-15-3-1-2-4-17(15)27-23-18/h1-4,13-14H,5-12H2,(H,21,22).
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-1H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 146343481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).