1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea

C20H25ClN4O — CID 5307266

IUPAC1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-2-24-11-13-25(14-12-24)15-16-7-9-17(10-8-16)22-20(26)23-19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3,(H2,22,23,26)
InChIKeyYJCNXTICFCJHSA-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.12
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea

1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea (PubChem CID 5307266) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea
PubChem CID5307266
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1
InChIInChI=1S/C20H25ClN4O/c1-2-24-11-13-25(14-12-24)15-16-7-9-17(10-8-16)22-20(26)23-19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3,(H2,22,23,26)
InChIKeyYJCNXTICFCJHSA-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea (CID 5307266) is 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea is CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea?
The InChIKey is YJCNXTICFCJHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-2-24-11-13-25(14-12-24)15-16-7-9-17(10-8-16)22-20(26)23-19-6-4-3-5-18(19)21/h3-10H,2,11-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea?
1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea has a molecular weight of 372.90 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]urea is sourced from PubChem (CID 5307266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).