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

C19H24ClN3O2 — CID 11574091

IUPAC(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H24ClN3O2/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
InChIKeySHFDHLCZYVHWPN-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.56
Rot. Bonds7

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

(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (PubChem CID 11574091) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
PubChem CID11574091
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1OCCCN1CCCCC1
InChIInChI=1S/C19H24ClN3O2/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
InChIKeySHFDHLCZYVHWPN-UHFFFAOYSA-N
XLogP3.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.56
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-ylpropoxy)imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone (CID 11574091) is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Cl)cc2)cnc1OCCCN1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone?
The InChIKey is SHFDHLCZYVHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/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-ylpropoxy)imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone has a molecular weight of 361.87 g/mol, XLogP of 3.56, 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-ylpropoxy)imidazol-4-yl]methanone is sourced from PubChem (CID 11574091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).