1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea

C20H25ClN4O — CID 112507265

IUPAC1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
SMILESCN1CCN(C(CNC(=O)Nc2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H2,22,23,26)
InChIKeyMICFWRHJIIQWBP-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.45
Rot. Bonds5

About 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea

1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea (PubChem CID 112507265) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
PubChem CID112507265
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
SMILESCN1CCN(C(CNC(=O)Nc2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H2,22,23,26)
InChIKeyMICFWRHJIIQWBP-UHFFFAOYSA-N
XLogP3.45
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea
CID 18578202
1-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 7384639
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
3-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 112507277
N'-(4-chlorophenyl)-N-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 16830345
N'-(4-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30631458
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-phenyloxamide
CID 43996738
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
1-(3-chlorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]urea
CID 43004993
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylphenyl)urea
CID 16803373
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea (CID 112507265) is 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea is CN1CCN(C(CNC(=O)Nc2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea?
The InChIKey is MICFWRHJIIQWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-24-11-13-25(14-12-24)19(16-7-9-17(21)10-8-16)15-22-20(26)23-18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea?
1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea has a molecular weight of 372.90 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 112507265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).