1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone

C23H33N3O — CID 123457525

IUPAC1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone
SMILESCCCCCc1ccc(-n2c(C)nc(C(=O)CN3CCCCC3)c2C)cc1
InChIInChI=1S/C23H33N3O/c1-4-5-7-10-20-11-13-21(14-12-20)26-18(2)23(24-19(26)3)22(27)17-25-15-8-6-9-16-25/h11-14H,4-10,15-17H2,1-3H3
InChIKeyGFCBYRFNQZTRPI-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.89
Rot. Bonds8

About 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone

1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone (PubChem CID 123457525) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone
PubChem CID123457525
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone
SMILESCCCCCc1ccc(-n2c(C)nc(C(=O)CN3CCCCC3)c2C)cc1
InChIInChI=1S/C23H33N3O/c1-4-5-7-10-20-11-13-21(14-12-20)26-18(2)23(24-19(26)3)22(27)17-25-15-8-6-9-16-25/h11-14H,4-10,15-17H2,1-3H3
InChIKeyGFCBYRFNQZTRPI-UHFFFAOYSA-N
XLogP4.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylamino)piperidin-1-yl]-1-[2,5-dimethyl-1-(4-pentylphenyl)pyrrol-3-yl]ethanone
CID 123702053
1-[2,5-dimethyl-1-(4-pentylphenyl)pyrrol-3-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 123866117
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid
CID 46199361
1-(4-pentylphenyl)pyrrolidine
CID 168512151
4-[4-(2,4,5-trimethylimidazol-1-yl)phenyl]butanoic acid
CID 82514538
2-(4-methylpiperazin-1-yl)-1-[4-(4-pentylphenyl)phenyl]ethanone
CID 170861866
1-[1-(4-isocyanophenyl)-2-methyl-6-propylindol-3-yl]-2-piperidin-1-ylethanone
CID 162026605
1-[6-(aminomethyl)-2-methyl-1-(4-methylphenyl)indol-3-yl]-2-piperidin-1-ylethanone
CID 118086016
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone (CID 123457525) is 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone is CCCCCc1ccc(-n2c(C)nc(C(=O)CN3CCCCC3)c2C)cc1.
What is the InChIKey of 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone?
The InChIKey is GFCBYRFNQZTRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-4-5-7-10-20-11-13-21(14-12-20)26-18(2)23(24-19(26)3)22(27)17-25-15-8-6-9-16-25/h11-14H,4-10,15-17H2,1-3H3.
What are the key properties of 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone?
1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone has a molecular weight of 367.54 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-1-(4-pentylphenyl)imidazol-4-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 123457525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).