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

C21H20N6O3 — CID 167757482

IUPAC1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccnc2=O)c1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H20N6O3/c28-19(25-17-6-2-7-18(13-17)27-11-9-23-21(27)30)24-16-5-1-4-15(12-16)14-26-10-3-8-22-20(26)29/h1-8,10,12-13H,9,11,14H2,(H,23,30)(H2,24,25,28)
InChIKeyACSZZRSWHDIDMR-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.47
Rot. Bonds5

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

1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (PubChem CID 167757482) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
PubChem CID167757482
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
SMILESO=C(Nc1cccc(Cn2cccnc2=O)c1)Nc1cccc(N2CCNC2=O)c1
InChIInChI=1S/C21H20N6O3/c28-19(25-17-6-2-7-18(13-17)27-11-9-23-21(27)30)24-16-5-1-4-15(12-16)14-26-10-3-8-22-20(26)29/h1-8,10,12-13H,9,11,14H2,(H,23,30)(H2,24,25,28)
InChIKeyACSZZRSWHDIDMR-UHFFFAOYSA-N
XLogP2.47
TPSA108.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea with MolForge

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Related Compounds

N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 166181142
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[3-(difluoromethoxy)phenyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55831507
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-(2-benzylsulfonylethyl)-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050413
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
CID 55809666

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea (CID 167757482) is 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is O=C(Nc1cccc(Cn2cccnc2=O)c1)Nc1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
The InChIKey is ACSZZRSWHDIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-19(25-17-6-2-7-18(13-17)27-11-9-23-21(27)30)24-16-5-1-4-15(12-16)14-26-10-3-8-22-20(26)29/h1-8,10,12-13H,9,11,14H2,(H,23,30)(H2,24,25,28).
What are the key properties of 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea?
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea has a molecular weight of 404.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 167757482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).