[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

C21H21N3O — CID 44565830

IUPAC[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H21N3O/c25-21(24-14-10-18(11-15-24)20-22-12-13-23-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,22,23)
InChIKeyVKUGLBIVUHFKTN-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.10
Rot. Bonds3

About [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone

[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 44565830) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID44565830
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C21H21N3O/c25-21(24-14-10-18(11-15-24)20-22-12-13-23-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,22,23)
InChIKeyVKUGLBIVUHFKTN-UHFFFAOYSA-N
XLogP4.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)
CID 657149
1H-Imidazol-2-yl(4-methylphenyl)methanone
CID 3661024
4'-Chloro-biphenyl-4-carboxylic acid (2-imidazol-1-yl-2-phenyl-ethyl)-amide
CID 9952928
4-((S)-2-amino-3-oxo-3-((S)-3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydroisoquinolin-2(1H)-yl)propyl)-3,5-dimethylbenzamide
CID 10255149
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone
CID 44138039
(4-((1H-imidazol-2-yl)methyl)piperidin-1-yl)(biphenyl-4-yl)methanone
CID 44565831
N-[3-(1H-imidazol-1-yl)propyl]-3,4-dimethylbenzamide
CID 2862530
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
4'-Chloro-N-[(1r)-2-(1h-Imidazol-1-Yl)-1-Phenylethyl]biphenyl-4-Carboxamide
CID 49867822
(-)-4'-Chloro-N-[2-(1H-imidazol-1-yl)-1-phenylethyl]-[1,1'-biphenyl]-4-carboxamide
CID 11538619
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone (CID 44565830) is [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is VKUGLBIVUHFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(24-14-10-18(11-15-24)20-22-12-13-23-20)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,12-13,18H,10-11,14-15H2,(H,22,23).
What are the key properties of [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone?
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 331.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 44565830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).