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

C22H29N5O2 — CID 55797540

IUPAC1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCN(CC)Cc1cccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C22H29N5O2/c1-3-26(4-2)16-18-8-5-7-17(13-18)15-24-21(28)25-19-9-6-10-20(14-19)27-12-11-23-22(27)29/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,23,29)(H2,24,25,28)
InChIKeyHRBMYHYDQAJEIL-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.38
Rot. Bonds8

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

1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55797540) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID55797540
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCN(CC)Cc1cccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)c1
InChIInChI=1S/C22H29N5O2/c1-3-26(4-2)16-18-8-5-7-17(13-18)15-24-21(28)25-19-9-6-10-20(14-19)27-12-11-23-22(27)29/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,23,29)(H2,24,25,28)
InChIKeyHRBMYHYDQAJEIL-UHFFFAOYSA-N
XLogP3.38
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738130
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738123
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 55809331
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 167757482
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 95904318

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55797540) is 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is CCN(CC)Cc1cccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)c1.
What is the InChIKey of 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is HRBMYHYDQAJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-26(4-2)16-18-8-5-7-17(13-18)15-24-21(28)25-19-9-6-10-20(14-19)27-12-11-23-22(27)29/h5-10,13-14H,3-4,11-12,15-16H2,1-2H3,(H,23,29)(H2,24,25,28).
What are the key properties of 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 395.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55797540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).