(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone

C20H26ClN3OS — CID 11625318

IUPAC(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCCN1CCCCC1
InChIInChI=1S/C20H26ClN3OS/c1-23-18(19(25)16-7-9-17(21)10-8-16)15-22-20(23)26-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyPQXKBYFNLPBVPU-UHFFFAOYSA-N
MW391.97 g/mol
LogP4.66
Rot. Bonds8

About (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone

(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone (PubChem CID 11625318) has the molecular formula C20H26ClN3OS and a molecular weight of 391.97 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone
PubChem CID11625318
Molecular FormulaC20H26ClN3OS
Molecular Weight391.97 g/mol
Exact Mass391.15
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCCN1CCCCC1
InChIInChI=1S/C20H26ClN3OS/c1-23-18(19(25)16-7-9-17(21)10-8-16)15-22-20(23)26-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3
InChIKeyPQXKBYFNLPBVPU-UHFFFAOYSA-N
XLogP4.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.97
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 9951566
(4-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-3-methyl-3H-imidazol-4-yl)methanone
CID 10134089
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-ylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 10156476
(3,5-dichlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10179744
(3-chlorophenyl)(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 10292893
1-(4-chlorophenyl)-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]-1-ethanone
CID 3755487
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylthio)-1H-imidazol-5-yl)methanone
CID 10177656
(4-chlorophenyl)(2-(1-isopropylpiperidin-4-yloxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 11545034
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanone
CID 11551796
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propoxy)-1H-imidazol-5-yl)methanone
CID 11574091
(4-chlorophenyl)(1-methyl-2-(3-(piperidin-1-yl)propylamino)-1H-imidazol-5-yl)methanone
CID 11602952
(4-chlorophenyl)(2-(2-(1-isopropylpiperidin-4-yl)ethoxy)-1-methyl-1H-imidazol-5-yl)methanone
CID 44571276

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone (CID 11625318) is (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCCN1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone?
The InChIKey is PQXKBYFNLPBVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3OS/c1-23-18(19(25)16-7-9-17(21)10-8-16)15-22-20(23)26-14-6-5-13-24-11-3-2-4-12-24/h7-10,15H,2-6,11-14H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone has a molecular weight of 391.97 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutylsulfanyl)imidazol-4-yl]methanone is sourced from PubChem (CID 11625318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).