[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

C24H27N3O — CID 95542984

IUPAC[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1
InChIInChI=1S/C24H27N3O/c1-18-7-2-3-9-20(18)13-12-19-8-6-16-27(17-19)24(28)22-11-5-4-10-21(22)23-25-14-15-26-23/h2-5,7,9-11,14-15,19H,6,8,12-13,16-17H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyPRZBZYLWWBYMJJ-LJQANCHMSA-N
MW373.50 g/mol
LogP4.87
Rot. Bonds5

About [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone

[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 95542984) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
PubChem CID95542984
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1
InChIInChI=1S/C24H27N3O/c1-18-7-2-3-9-20(18)13-12-19-8-6-16-27(17-19)24(28)22-11-5-4-10-21(22)23-25-14-15-26-23/h2-5,7,9-11,14-15,19H,6,8,12-13,16-17H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyPRZBZYLWWBYMJJ-LJQANCHMSA-N
XLogP4.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
ethyl 4-[1-[2-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45209348
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45220879
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95549951
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 56869725
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone (CID 95542984) is [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccccc2-c2ncc[nH]2)C1.
What is the InChIKey of [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is PRZBZYLWWBYMJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H27N3O/c1-18-7-2-3-9-20(18)13-12-19-8-6-16-27(17-19)24(28)22-11-5-4-10-21(22)23-25-14-15-26-23/h2-5,7,9-11,14-15,19H,6,8,12-13,16-17H2,1H3,(H,25,26)/t19-/m1/s1.
What are the key properties of [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone?
[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95542984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).