[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone

C26H31N3O — CID 176753163

IUPAC[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C2CCN(C(=O)c3ccc(C)c(-c4nc(C)[nH]c4C)c3)CC2)cc1
InChIInChI=1S/C26H31N3O/c1-5-20-7-10-21(11-8-20)22-12-14-29(15-13-22)26(30)23-9-6-17(2)24(16-23)25-18(3)27-19(4)28-25/h6-11,16,22H,5,12-15H2,1-4H3,(H,27,28)
InChIKeyAIKXOWWFDWPCNL-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.58
Rot. Bonds4

About [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone

[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone (PubChem CID 176753163) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
PubChem CID176753163
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone
SMILESCCc1ccc(C2CCN(C(=O)c3ccc(C)c(-c4nc(C)[nH]c4C)c3)CC2)cc1
InChIInChI=1S/C26H31N3O/c1-5-20-7-10-21(11-8-20)22-12-14-29(15-13-22)26(30)23-9-6-17(2)24(16-23)25-18(3)27-19(4)28-25/h6-11,16,22H,5,12-15H2,1-4H3,(H,27,28)
InChIKeyAIKXOWWFDWPCNL-UHFFFAOYSA-N
XLogP5.58
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-7-yl)piperidin-1-yl]methanone
CID 90030559
4-[1-[4-chloro-3-(2,5-dimethyl-1H-imidazol-4-yl)benzoyl]piperidin-4-yl]benzonitrile
CID 90030314
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylbenzoic acid
CID 90022097
1-[4-[5-methyl-4-[2-methyl-5-[3-[4-(methylamino)phenyl]azetidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 155312962
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
[4-cyclopropyl-3-(2,5-dimethyl-1H-imidazol-4-yl)phenyl]-[4-(3-methylimidazo[1,5-a]pyridin-7-yl)piperidin-1-yl]methanone
CID 90066715
[3-[2-(2-hydroxyethyl)-5-methyl-1H-imidazol-4-yl]-4-methylphenyl]-[3-(4-methylphenyl)azetidin-1-yl]methanone
CID 123580904
2-[5-chloro-4-[2-methyl-5-[4-[4-(methylamino)phenyl]piperidine-1-carbonyl]phenyl]-1H-imidazol-2-yl]acetonitrile
CID 155312907
chloromethane;5-(2,5-dimethyl-1H-imidazol-4-yl)-2,4-dimethylbenzoic acid;4-[1-[5-(2,5-dimethyl-1H-imidazol-4-yl)-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 158946453
4-[1-[3-[4-(methoxymethyl)-5-methyl-1H-imidazol-2-yl]-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 123151073
4-[1-[3-[2-(1-tert-butylpiperidin-4-yl)-5-methyl-1H-imidazol-4-yl]-4-methylbenzoyl]azetidin-3-yl]benzonitrile
CID 118171141
3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methyl-N-propylbenzamide
CID 148763117

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone (CID 176753163) is [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone is CCc1ccc(C2CCN(C(=O)c3ccc(C)c(-c4nc(C)[nH]c4C)c3)CC2)cc1.
What is the InChIKey of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
The InChIKey is AIKXOWWFDWPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c1-5-20-7-10-21(11-8-20)22-12-14-29(15-13-22)26(30)23-9-6-17(2)24(16-23)25-18(3)27-19(4)28-25/h6-11,16,22H,5,12-15H2,1-4H3,(H,27,28).
What are the key properties of [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone?
[3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone has a molecular weight of 401.55 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethyl-1H-imidazol-4-yl)-4-methylphenyl]-[4-(4-ethylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 176753163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).