1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea

C21H23ClN6O — CID 166230289

IUPAC1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-n1ccnc1)NC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN6O/c22-17-3-5-19(6-4-17)27-11-7-18(8-12-27)26-21(29)25-14-16-2-1-9-24-20(16)28-13-10-23-15-28/h1-6,9-10,13,15,18H,7-8,11-12,14H2,(H2,25,26,29)
InChIKeyFJOLIPSMKNGLRW-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.39
Rot. Bonds5

About 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea

1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 166230289) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
PubChem CID166230289
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea
SMILESO=C(NCc1cccnc1-n1ccnc1)NC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN6O/c22-17-3-5-19(6-4-17)27-11-7-18(8-12-27)26-21(29)25-14-16-2-1-9-24-20(16)28-13-10-23-15-28/h1-6,9-10,13,15,18H,7-8,11-12,14H2,(H2,25,26,29)
InChIKeyFJOLIPSMKNGLRW-UHFFFAOYSA-N
XLogP3.39
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
1-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 55746567
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]urea
CID 154781453
1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]acetamide
CID 42519834
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56705378
2-(furan-2-yl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 71936589
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 166230289) is 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1cccnc1-n1ccnc1)NC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
The InChIKey is FJOLIPSMKNGLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c22-17-3-5-19(6-4-17)27-11-7-18(8-12-27)26-21(29)25-14-16-2-1-9-24-20(16)28-13-10-23-15-28/h1-6,9-10,13,15,18H,7-8,11-12,14H2,(H2,25,26,29).
What are the key properties of 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea?
1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 410.91 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)piperidin-4-yl]-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 166230289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).