4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

C23H26N4O3 — CID 121473167

IUPAC4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2C(C)(C)O)c1
InChIInChI=1S/C23H26N4O3/c1-23(2,29)21-15-26(19-9-7-17(8-10-19)18-12-24-25-13-18)22(28)27(21)14-16-5-4-6-20(11-16)30-3/h4-13,21,29H,14-15H2,1-3H3,(H,24,25)
InChIKeyVUHMKNHUHMYLFV-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.67
Rot. Bonds6

About 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one

4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 121473167) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID121473167
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2C(C)(C)O)c1
InChIInChI=1S/C23H26N4O3/c1-23(2,29)21-15-26(19-9-7-17(8-10-19)18-12-24-25-13-18)22(28)27(21)14-16-5-4-6-20(11-16)30-3/h4-13,21,29H,14-15H2,1-3H3,(H,24,25)
InChIKeyVUHMKNHUHMYLFV-UHFFFAOYSA-N
XLogP3.67
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 121473167) is 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is COc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2C(C)(C)O)c1.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The InChIKey is VUHMKNHUHMYLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(2,29)21-15-26(19-9-7-17(8-10-19)18-12-24-25-13-18)22(28)27(21)14-16-5-4-6-20(11-16)30-3/h4-13,21,29H,14-15H2,1-3H3,(H,24,25).
What are the key properties of 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 121473167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).