1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea

C17H20ClN5O2 — CID 24898567

IUPAC1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)Cc2cnc[nH]2)CC1
InChIInChI=1S/C17H20ClN5O2/c18-12-1-3-13(4-2-12)21-17(25)22-14-5-7-23(8-6-14)16(24)9-15-10-19-11-20-15/h1-4,10-11,14H,5-9H2,(H,19,20)(H2,21,22,25)
InChIKeyZTIXCSNZEHFFOT-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea

1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea (PubChem CID 24898567) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
PubChem CID24898567
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC Name1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)Cc2cnc[nH]2)CC1
InChIInChI=1S/C17H20ClN5O2/c18-12-1-3-13(4-2-12)21-17(25)22-14-5-7-23(8-6-14)16(24)9-15-10-19-11-20-15/h1-4,10-11,14H,5-9H2,(H,19,20)(H2,21,22,25)
InChIKeyZTIXCSNZEHFFOT-UHFFFAOYSA-N
XLogP2.42
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 110874683
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
1-(1-acetylpyrrolidin-3-yl)-3-(4-chlorophenyl)urea
CID 110874676
2-(2,4-dichlorophenyl)-1-[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]ethanone
CID 11394532
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)piperidin-4-yl]urea
CID 94862524
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110820802

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea (CID 24898567) is 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(C(=O)Cc2cnc[nH]2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea?
The InChIKey is ZTIXCSNZEHFFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-12-1-3-13(4-2-12)21-17(25)22-14-5-7-23(8-6-14)16(24)9-15-10-19-11-20-15/h1-4,10-11,14H,5-9H2,(H,19,20)(H2,21,22,25).
What are the key properties of 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea has a molecular weight of 361.83 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea is sourced from PubChem (CID 24898567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).