1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

C22H29N5O2 — CID 55738090

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCc1ccc(C(CNC(=O)Nc2cccc(N3CCNC3=O)c2)N(C)C)cc1
InChIInChI=1S/C22H29N5O2/c1-4-16-8-10-17(11-9-16)20(26(2)3)15-24-21(28)25-18-6-5-7-19(14-18)27-13-12-23-22(27)29/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,23,29)(H2,24,25,28)
InChIKeyFICRSQNTRRUHHZ-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.20
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55738090) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID55738090
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCCc1ccc(C(CNC(=O)Nc2cccc(N3CCNC3=O)c2)N(C)C)cc1
InChIInChI=1S/C22H29N5O2/c1-4-16-8-10-17(11-9-16)20(26(2)3)15-24-21(28)25-18-6-5-7-19(14-18)27-13-12-23-22(27)29/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,23,29)(H2,24,25,28)
InChIKeyFICRSQNTRRUHHZ-UHFFFAOYSA-N
XLogP3.20
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea with MolForge

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Related Compounds

1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738130
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[(2R)-2-thiophen-3-ylpropyl]urea
CID 95904318
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55738090) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is CCc1ccc(C(CNC(=O)Nc2cccc(N3CCNC3=O)c2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is FICRSQNTRRUHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-4-16-8-10-17(11-9-16)20(26(2)3)15-24-21(28)25-18-6-5-7-19(14-18)27-13-12-23-22(27)29/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,23,29)(H2,24,25,28).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 395.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55738090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).