1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one

C28H34ClN3O2 — CID 162068479

IUPAC1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C28H34ClN3O2/c1-21(2)17-25(33)19-32-20-27(30-28(32)23-7-6-8-24(29)18-23)22-9-11-26(12-10-22)34-16-15-31-13-4-3-5-14-31/h6-12,18,20-21H,3-5,13-17,19H2,1-2H3
InChIKeyZATMMVUJRNRSMR-UHFFFAOYSA-N
MW480.05 g/mol
LogP6.35
Rot. Bonds10

About 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one

1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one (PubChem CID 162068479) has the molecular formula C28H34ClN3O2 and a molecular weight of 480.05 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one
PubChem CID162068479
Molecular FormulaC28H34ClN3O2
Molecular Weight480.05 g/mol
Exact Mass479.23
IUPAC Name1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one
SMILESCC(C)CC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C28H34ClN3O2/c1-21(2)17-25(33)19-32-20-27(30-28(32)23-7-6-8-24(29)18-23)22-9-11-26(12-10-22)34-16-15-31-13-4-3-5-14-31/h6-12,18,20-21H,3-5,13-17,19H2,1-2H3
InChIKeyZATMMVUJRNRSMR-UHFFFAOYSA-N
XLogP6.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.05
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 171470139
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CID 68994202
1-[2-(4-phenylphenoxy)ethyl]piperidine
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(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
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CID 19085087
1-[2-(3-chlorophenyl)-5-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)propoxy]indol-1-yl]-4-methylpentan-2-one
CID 159485846
N-[1-[2-(3-chlorophenyl)-5-(3-piperidin-1-ylpropoxy)indol-1-yl]propan-2-yl]acetamide
CID 140666340
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
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4-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20984058
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
1-[6-(3-chlorophenoxy)hexyl]piperidine
CID 2057716
1-[6-(3-chlorophenoxy)hexyl]azepane
CID 127038677

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one?
The IUPAC name of 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one (CID 162068479) is 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one?
The canonical SMILES for 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one is CC(C)CC(=O)Cn1cc(-c2ccc(OCCN3CCCCC3)cc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one?
The InChIKey is ZATMMVUJRNRSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN3O2/c1-21(2)17-25(33)19-32-20-27(30-28(32)23-7-6-8-24(29)18-23)22-9-11-26(12-10-22)34-16-15-31-13-4-3-5-14-31/h6-12,18,20-21H,3-5,13-17,19H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one?
1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one has a molecular weight of 480.05 g/mol, XLogP of 6.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-4-[4-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-4-methylpentan-2-one is sourced from PubChem (CID 162068479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).