3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one

C17H21F2N3O3 — CID 18763371

IUPAC3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one
SMILESCC(Cn1cc[nH]c1=O)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C17H21F2N3O3/c1-11(10-22-7-6-20-17(22)23)13-8-14(24-12-4-2-3-5-12)15(9-21-13)25-16(18)19/h6-9,11-12,16H,2-5,10H2,1H3,(H,20,23)
InChIKeyOCUAWVMQONGHRN-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.30
Rot. Bonds7

About 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one

3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one (PubChem CID 18763371) has the molecular formula C17H21F2N3O3 and a molecular weight of 353.37 g/mol. Its IUPAC name is 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one
PubChem CID18763371
Molecular FormulaC17H21F2N3O3
Molecular Weight353.37 g/mol
Exact Mass353.16
IUPAC Name3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one
SMILESCC(Cn1cc[nH]c1=O)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C17H21F2N3O3/c1-11(10-22-7-6-20-17(22)23)13-8-14(24-12-4-2-3-5-12)15(9-21-13)25-16(18)19/h6-9,11-12,16H,2-5,10H2,1H3,(H,20,23)
InChIKeyOCUAWVMQONGHRN-UHFFFAOYSA-N
XLogP3.30
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one (CID 18763371) is 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one is CC(Cn1cc[nH]c1=O)c1cc(OC2CCCC2)c(OC(F)F)cn1.
What is the InChIKey of 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one?
The InChIKey is OCUAWVMQONGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O3/c1-11(10-22-7-6-20-17(22)23)13-8-14(24-12-4-2-3-5-12)15(9-21-13)25-16(18)19/h6-9,11-12,16H,2-5,10H2,1H3,(H,20,23).
What are the key properties of 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one?
3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one has a molecular weight of 353.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]propyl]-1H-imidazol-2-one is sourced from PubChem (CID 18763371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).