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

C20H26ClN3O — CID 44571278

IUPAC(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1CCCCN1CCCCC1
InChIInChI=1S/C20H26ClN3O/c1-23-18(20(25)16-8-10-17(21)11-9-16)15-22-19(23)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3
InChIKeySJSVELJZBPKFCK-UHFFFAOYSA-N
MW359.90 g/mol
LogP4.11
Rot. Bonds7

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

(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone (PubChem CID 44571278) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone
PubChem CID44571278
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1CCCCN1CCCCC1
InChIInChI=1S/C20H26ClN3O/c1-23-18(20(25)16-8-10-17(21)11-9-16)15-22-19(23)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3
InChIKeySJSVELJZBPKFCK-UHFFFAOYSA-N
XLogP4.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)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

(4-chlorophenyl)-[3-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]imidazol-4-yl]methanone
CID 11682626
(4-chlorophenyl)-[3-methyl-2-(3-thiomorpholin-4-ylpropylsulfanyl)imidazol-4-yl]methanone
CID 68680543
(4-chlorophenyl)-[2-(2-hydroxyethylsulfanyl)-3-methylimidazol-4-yl]methanone
CID 11716333
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
(4-chlorophenyl)-[3-methyl-2-(1-propan-2-ylpiperidin-4-yl)sulfanylimidazol-4-yl]methanone
CID 10156476
bis[4-(2-pyrrolidin-1-ylethyl)phenyl]methanone
CID 57106697
[(1S,4S)-5-(4-chlorobenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10345141
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
CID 110443247
(4-chlorophenyl)-[4-[5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]pentoxy]phenyl]methanone
CID 24996200
[5-(chloromethyl)-1-methylimidazol-2-yl]-(4-chlorophenyl)methanone
CID 10038706
1-[3-[3-[3-(4-chlorophenyl)propoxy]propoxy]propyl]piperidine
CID 175675428

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone (CID 44571278) is (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Cl)cc2)cnc1CCCCN1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone?
The InChIKey is SJSVELJZBPKFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O/c1-23-18(20(25)16-8-10-17(21)11-9-16)15-22-19(23)7-3-6-14-24-12-4-2-5-13-24/h8-11,15H,2-7,12-14H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone has a molecular weight of 359.90 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-methyl-2-(4-piperidin-1-ylbutyl)imidazol-4-yl]methanone is sourced from PubChem (CID 44571278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).