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

C19H24ClN3OS — CID 10177656

IUPAC(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCN1CCCCC1
InChIInChI=1S/C19H24ClN3OS/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3
InChIKeyJXUJBAFCQZYLGX-UHFFFAOYSA-N
MW377.94 g/mol
LogP4.27
Rot. Bonds7

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

(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone (PubChem CID 10177656) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone
PubChem CID10177656
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCN1CCCCC1
InChIInChI=1S/C19H24ClN3OS/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3
InChIKeyJXUJBAFCQZYLGX-UHFFFAOYSA-N
XLogP4.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone (CID 10177656) is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCN1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone?
The InChIKey is JXUJBAFCQZYLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3OS/c1-22-17(18(24)15-6-8-16(20)9-7-15)14-21-19(22)25-13-5-12-23-10-3-2-4-11-23/h6-9,14H,2-5,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone has a molecular weight of 377.94 g/mol, XLogP of 4.27, 7 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-(3-piperidin-1-ylpropylsulfanyl)imidazol-4-yl]methanone is sourced from PubChem (CID 10177656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).