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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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).