1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

C19H28ClN5O3 — CID 166231927

IUPAC1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CC(O)CNC(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)CC1
InChIInChI=1S/C19H28ClN5O3/c1-13-4-7-24(8-5-13)12-15(26)11-22-18(27)23-14-2-3-16(20)17(10-14)25-9-6-21-19(25)28/h2-3,10,13,15,26H,4-9,11-12H2,1H3,(H,21,28)(H2,22,23,27)
InChIKeyHVSRLPBJNMNXQH-UHFFFAOYSA-N
MW409.92 g/mol
LogP2.08
Rot. Bonds6

About 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea

1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 166231927) has the molecular formula C19H28ClN5O3 and a molecular weight of 409.92 g/mol. Its IUPAC name is 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID166231927
Molecular FormulaC19H28ClN5O3
Molecular Weight409.92 g/mol
Exact Mass409.19
IUPAC Name1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CC(O)CNC(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)CC1
InChIInChI=1S/C19H28ClN5O3/c1-13-4-7-24(8-5-13)12-15(26)11-22-18(27)23-14-2-3-16(20)17(10-14)25-9-6-21-19(25)28/h2-3,10,13,15,26H,4-9,11-12H2,1H3,(H,21,28)(H2,22,23,27)
InChIKeyHVSRLPBJNMNXQH-UHFFFAOYSA-N
XLogP2.08
TPSA96.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923508
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 56785065
2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 111112860
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trifluorophenyl)urea
CID 111111295
1-(4-chlorophenyl)-3-[2-hydroxy-3-(4-propylpiperazin-1-yl)propyl]urea
CID 44527624
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-butyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 56785064
1-butyl-3-[(2R)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 95617929
1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-hydroxypropyl]urea
CID 22504630
1-(2,5-dichlorophenyl)-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 110923525
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea (CID 166231927) is 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(CC(O)CNC(=O)Nc2ccc(Cl)c(N3CCNC3=O)c2)CC1.
What is the InChIKey of 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is HVSRLPBJNMNXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN5O3/c1-13-4-7-24(8-5-13)12-15(26)11-22-18(27)23-14-2-3-16(20)17(10-14)25-9-6-21-19(25)28/h2-3,10,13,15,26H,4-9,11-12H2,1H3,(H,21,28)(H2,22,23,27).
What are the key properties of 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea?
1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 409.92 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2-oxoimidazolidin-1-yl)phenyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 166231927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).