1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

C19H23BrN4O — CID 15989534

IUPAC1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN4O/c20-17-8-4-5-9-18(17)22-19(25)21-10-11-23-12-14-24(15-13-23)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyISCJRBRHBUKVPC-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (PubChem CID 15989534) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
PubChem CID15989534
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC Name1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C19H23BrN4O/c20-17-8-4-5-9-18(17)22-19(25)21-10-11-23-12-14-24(15-13-23)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25)
InChIKeyISCJRBRHBUKVPC-UHFFFAOYSA-N
XLogP3.39
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
1-(2-bromophenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 23609325
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
N'-(2-morpholin-4-ylethyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 29344676
1-(2-bromophenyl)-3-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]urea
CID 5158758
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
1-(2-methoxy-3-pyridinyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 55744742
1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22334724
3-bromo-2-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic acid
CID 63113652
1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
1-[2-[(2-bromophenyl)carbamoylamino]ethyl]imidazole-4-carboxylic acid
CID 107496791
1-(2,3-dimethylphenyl)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]urea
CID 22430377

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea (CID 15989534) is 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is O=C(NCCN1CCN(c2ccccc2)CC1)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
The InChIKey is ISCJRBRHBUKVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c20-17-8-4-5-9-18(17)22-19(25)21-10-11-23-12-14-24(15-13-23)16-6-2-1-3-7-16/h1-9H,10-15H2,(H2,21,22,25).
What are the key properties of 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea has a molecular weight of 403.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 15989534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).