1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea

C18H23N5O2 — CID 119037018

IUPAC1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
SMILESCNC(=O)NCC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N5O2/c1-19-18(25)21-12-16(24)23-10-6-5-9-15(23)17-20-11-14(22-17)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,22)(H2,19,21,25)
InChIKeyCLCKAWYSLFZZLK-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.06
Rot. Bonds4

About 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea

1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea (PubChem CID 119037018) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
PubChem CID119037018
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea
SMILESCNC(=O)NCC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C18H23N5O2/c1-19-18(25)21-12-16(24)23-10-6-5-9-15(23)17-20-11-14(22-17)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,22)(H2,19,21,25)
InChIKeyCLCKAWYSLFZZLK-UHFFFAOYSA-N
XLogP2.06
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-[5-[4-[4-[2-(1-butanoylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamic acid
CID 145196171
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124621620
methyl N-[2-oxo-2-[2-[5-[4-(3-phenylthieno[3,2-b]thiophen-6-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]carbamate
CID 70812965
2-(2-methyl-1H-indol-3-yl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 86818687
1-[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 124621608
4-[(2S)-2-amino-3-oxo-3-[(2S)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]propyl]-N-methylbenzamide
CID 10455455
methyl N-[2-[2-[5-[6-[4-[2-[1-[2-(methylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 134270190
cyclopropyl-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 163365317
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
methyl N-[2-[(2S)-2-[5-[4-[4-[2-(1,5-dimethylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 145150457
2-(3-fluoro-4-methoxyphenyl)-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 126766506

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea?
The IUPAC name of 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea (CID 119037018) is 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea is CNC(=O)NCC(=O)N1CCCCC1c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea?
The InChIKey is CLCKAWYSLFZZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-18(25)21-12-16(24)23-10-6-5-9-15(23)17-20-11-14(22-17)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10,12H2,1H3,(H,20,22)(H2,19,21,25).
What are the key properties of 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea?
1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea has a molecular weight of 341.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 119037018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).