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

C20H25N5O2 — CID 55738130

IUPAC1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C20H25N5O2/c1-24(2)14-16-8-6-15(7-9-16)13-22-19(26)23-17-4-3-5-18(12-17)25-11-10-21-20(25)27/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,27)(H2,22,23,26)
InChIKeyIGCAMXIFOMATLF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.60
Rot. Bonds6

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

1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (PubChem CID 55738130) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
PubChem CID55738130
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
SMILESCN(C)Cc1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1
InChIInChI=1S/C20H25N5O2/c1-24(2)14-16-8-6-15(7-9-16)13-22-19(26)23-17-4-3-5-18(12-17)25-11-10-21-20(25)27/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,27)(H2,22,23,26)
InChIKeyIGCAMXIFOMATLF-UHFFFAOYSA-N
XLogP2.60
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[3-(diethylaminomethyl)phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55797540
1-(furan-3-ylmethyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 47039430
1-[3-(2-oxoimidazolidin-1-yl)phenyl]-3-[[4-(1H-pyrazol-5-yl)phenyl]methyl]urea
CID 55809331
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090
1-(2-methylprop-2-enyl)-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 100624959
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
1-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738123
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
1-[(4-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169682
1-[2-(4-fluorophenyl)-2-hydroxypropyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 154834572
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738407
N-[(4-fluorophenyl)methyl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71940813

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea (CID 55738130) is 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is CN(C)Cc1ccc(CNC(=O)Nc2cccc(N3CCNC3=O)c2)cc1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
The InChIKey is IGCAMXIFOMATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24(2)14-16-8-6-15(7-9-16)13-22-19(26)23-17-4-3-5-18(12-17)25-11-10-21-20(25)27/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,27)(H2,22,23,26).
What are the key properties of 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea?
1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea has a molecular weight of 367.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea is sourced from PubChem (CID 55738130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).