1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea

C22H24N6O2 — CID 166211641

IUPAC1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
SMILESCn1cc(-c2ccccc2CNC(=O)Nc2ccccc2CN2CCNC2=O)cn1
InChIInChI=1S/C22H24N6O2/c1-27-14-18(13-25-27)19-8-4-2-6-16(19)12-24-21(29)26-20-9-5-3-7-17(20)15-28-11-10-23-22(28)30/h2-9,13-14H,10-12,15H2,1H3,(H,23,30)(H2,24,26,29)
InChIKeyGMMRKFNQSCCDMG-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.93
Rot. Bonds6

About 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea

1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea (PubChem CID 166211641) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
PubChem CID166211641
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea
SMILESCn1cc(-c2ccccc2CNC(=O)Nc2ccccc2CN2CCNC2=O)cn1
InChIInChI=1S/C22H24N6O2/c1-27-14-18(13-25-27)19-8-4-2-6-16(19)12-24-21(29)26-20-9-5-3-7-17(20)15-28-11-10-23-22(28)30/h2-9,13-14H,10-12,15H2,1H3,(H,23,30)(H2,24,26,29)
InChIKeyGMMRKFNQSCCDMG-UHFFFAOYSA-N
XLogP2.93
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea (CID 166211641) is 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea is Cn1cc(-c2ccccc2CNC(=O)Nc2ccccc2CN2CCNC2=O)cn1.
What is the InChIKey of 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea?
The InChIKey is GMMRKFNQSCCDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-27-14-18(13-25-27)19-8-4-2-6-16(19)12-24-21(29)26-20-9-5-3-7-17(20)15-28-11-10-23-22(28)30/h2-9,13-14H,10-12,15H2,1H3,(H,23,30)(H2,24,26,29).
What are the key properties of 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea?
1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea has a molecular weight of 404.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 166211641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).