1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one

C25H29N3O — CID 10157055

IUPAC1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(c2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)C1
InChIInChI=1S/C25H29N3O/c1-2-3-11-24(29)28-16-7-10-22(18-28)25-26-17-23(27-25)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-6,8-9,12-15,17,22H,2-3,7,10-11,16,18H2,1H3,(H,26,27)
InChIKeyZYUUDDBYJMZZBY-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.64
Rot. Bonds6

About 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one

1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one (PubChem CID 10157055) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
PubChem CID10157055
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC(c2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)C1
InChIInChI=1S/C25H29N3O/c1-2-3-11-24(29)28-16-7-10-22(18-28)25-26-17-23(27-25)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-6,8-9,12-15,17,22H,2-3,7,10-11,16,18H2,1H3,(H,26,27)
InChIKeyZYUUDDBYJMZZBY-UHFFFAOYSA-N
XLogP5.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxy)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 97082927
(2S)-1-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 97025677
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
3-benzyl-5-[(3R)-1-pentanoylpiperidin-3-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135740549
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
CID 160800300
[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
3-benzyl-5-[(3R)-1-heptanoylpiperidin-3-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135740545
3-hydroxy-1-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 56747337
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
2-methyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 133430723

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one (CID 10157055) is 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCCC(c2ncc(-c3ccc(-c4ccccc4)cc3)[nH]2)C1.
What is the InChIKey of 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is ZYUUDDBYJMZZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-2-3-11-24(29)28-16-7-10-22(18-28)25-26-17-23(27-25)21-14-12-20(13-15-21)19-8-5-4-6-9-19/h4-6,8-9,12-15,17,22H,2-3,7,10-11,16,18H2,1H3,(H,26,27).
What are the key properties of 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one?
1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 387.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-phenylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 10157055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).