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

C21H22N4O3 — CID 121473166

IUPAC4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2CO)c1
InChIInChI=1S/C21H22N4O3/c1-28-20-4-2-3-15(9-20)12-24-19(14-26)13-25(21(24)27)18-7-5-16(6-8-18)17-10-22-23-11-17/h2-11,19,26H,12-14H2,1H3,(H,22,23)
InChIKeyNDCFPYSZIBBKFT-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.89
Rot. Bonds6

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

4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (PubChem CID 121473166) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
PubChem CID121473166
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one
SMILESCOc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2CO)c1
InChIInChI=1S/C21H22N4O3/c1-28-20-4-2-3-15(9-20)12-24-19(14-26)13-25(21(24)27)18-7-5-16(6-8-18)17-10-22-23-11-17/h2-11,19,26H,12-14H2,1H3,(H,22,23)
InChIKeyNDCFPYSZIBBKFT-UHFFFAOYSA-N
XLogP2.89
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one (CID 121473166) is 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is COc1cccc(CN2C(=O)N(c3ccc(-c4cn[nH]c4)cc3)CC2CO)c1.
What is the InChIKey of 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
The InChIKey is NDCFPYSZIBBKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-28-20-4-2-3-15(9-20)12-24-19(14-26)13-25(21(24)27)18-7-5-16(6-8-18)17-10-22-23-11-17/h2-11,19,26H,12-14H2,1H3,(H,22,23).
What are the key properties of 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one?
4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one has a molecular weight of 378.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 121473166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).