[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone

C26H30ClN3O — CID 174473520

IUPAC[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
SMILESCCc1c(C(=O)N2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C26H30ClN3O/c1-4-23-24(26(31)29-16-8-5-9-17-29)28-25(21-10-6-7-11-22(21)27)30(23)20-14-12-19(13-15-20)18(2)3/h6-7,10-15,18H,4-5,8-9,16-17H2,1-3H3
InChIKeyPMFHOBJZJHYLNB-UHFFFAOYSA-N
MW436.00 g/mol
LogP6.50
Rot. Bonds5

About [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone

[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 174473520) has the molecular formula C26H30ClN3O and a molecular weight of 436.00 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
PubChem CID174473520
Molecular FormulaC26H30ClN3O
Molecular Weight436.00 g/mol
Exact Mass435.21
IUPAC Name[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
SMILESCCc1c(C(=O)N2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(C(C)C)cc1
InChIInChI=1S/C26H30ClN3O/c1-4-23-24(26(31)29-16-8-5-9-17-29)28-25(21-10-6-7-11-22(21)27)30(23)20-14-12-19(13-15-20)18(2)3/h6-7,10-15,18H,4-5,8-9,16-17H2,1-3H3
InChIKeyPMFHOBJZJHYLNB-UHFFFAOYSA-N
XLogP6.50
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone (CID 174473520) is [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone is CCc1c(C(=O)N2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(C(C)C)cc1.
What is the InChIKey of [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is PMFHOBJZJHYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O/c1-4-23-24(26(31)29-16-8-5-9-17-29)28-25(21-10-6-7-11-22(21)27)30(23)20-14-12-19(13-15-20)18(2)3/h6-7,10-15,18H,4-5,8-9,16-17H2,1-3H3.
What are the key properties of [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone?
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 436.00 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 174473520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).