1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one

C14H17F2N5O — CID 146481792

IUPAC1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one
SMILESO=c1cc(-n2cnc(CN3CCNCC3)c2)ccn1C(F)F
InChIInChI=1S/C14H17F2N5O/c15-14(16)21-4-1-12(7-13(21)22)20-9-11(18-10-20)8-19-5-2-17-3-6-19/h1,4,7,9-10,14,17H,2-3,5-6,8H2
InChIKeySOPWJKATLZJPPC-UHFFFAOYSA-N
MW309.32 g/mol
LogP0.83
Rot. Bonds4

About 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one

1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one (PubChem CID 146481792) has the molecular formula C14H17F2N5O and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one
PubChem CID146481792
Molecular FormulaC14H17F2N5O
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one
SMILESO=c1cc(-n2cnc(CN3CCNCC3)c2)ccn1C(F)F
InChIInChI=1S/C14H17F2N5O/c15-14(16)21-4-1-12(7-13(21)22)20-9-11(18-10-20)8-19-5-2-17-3-6-19/h1,4,7,9-10,14,17H,2-3,5-6,8H2
InChIKeySOPWJKATLZJPPC-UHFFFAOYSA-N
XLogP0.83
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one (CID 146481792) is 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one is O=c1cc(-n2cnc(CN3CCNCC3)c2)ccn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one?
The InChIKey is SOPWJKATLZJPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O/c15-14(16)21-4-1-12(7-13(21)22)20-9-11(18-10-20)8-19-5-2-17-3-6-19/h1,4,7,9-10,14,17H,2-3,5-6,8H2.
What are the key properties of 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one?
1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one has a molecular weight of 309.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[4-(piperazin-1-ylmethyl)imidazol-1-yl]pyridin-2-one is sourced from PubChem (CID 146481792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).