1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one

C19H19N5O2 — CID 118239105

IUPAC1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3ccncc3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19N5O2/c1-26-18-10-16(2-3-17(18)15-11-21-22-12-15)24-9-8-23(19(24)25)13-14-4-6-20-7-5-14/h2-7,10-12H,8-9,13H2,1H3,(H,21,22)
InChIKeySFUQRXLYWDLAPI-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.92
Rot. Bonds5

About 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one

1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one (PubChem CID 118239105) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one
PubChem CID118239105
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one
SMILESCOc1cc(N2CCN(Cc3ccncc3)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C19H19N5O2/c1-26-18-10-16(2-3-17(18)15-11-21-22-12-15)24-9-8-23(19(24)25)13-14-4-6-20-7-5-14/h2-7,10-12H,8-9,13H2,1H3,(H,21,22)
InChIKeySFUQRXLYWDLAPI-UHFFFAOYSA-N
XLogP2.92
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one?
The IUPAC name of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one (CID 118239105) is 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one?
The canonical SMILES for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one is COc1cc(N2CCN(Cc3ccncc3)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one?
The InChIKey is SFUQRXLYWDLAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-18-10-16(2-3-17(18)15-11-21-22-12-15)24-9-8-23(19(24)25)13-14-4-6-20-7-5-14/h2-7,10-12H,8-9,13H2,1H3,(H,21,22).
What are the key properties of 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one?
1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one has a molecular weight of 349.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 118239105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).