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

C19H25ClN4O — CID 11602952

IUPAC(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1NCCCN1CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-23-17(18(25)15-6-8-16(20)9-7-15)14-22-19(23)21-10-5-13-24-11-3-2-4-12-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22)
InChIKeyJTUUNYXULCFQHN-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.59
Rot. Bonds7

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

(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone (PubChem CID 11602952) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone
PubChem CID11602952
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone
SMILESCn1c(C(=O)c2ccc(Cl)cc2)cnc1NCCCN1CCCCC1
InChIInChI=1S/C19H25ClN4O/c1-23-17(18(25)15-6-8-16(20)9-7-15)14-22-19(23)21-10-5-13-24-11-3-2-4-12-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22)
InChIKeyJTUUNYXULCFQHN-UHFFFAOYSA-N
XLogP3.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
(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
(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
(2-((1-isopropylpiperidin-4-yl)methoxy)-1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 44571277
(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

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone (CID 11602952) is (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone is Cn1c(C(=O)c2ccc(Cl)cc2)cnc1NCCCN1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone?
The InChIKey is JTUUNYXULCFQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-23-17(18(25)15-6-8-16(20)9-7-15)14-22-19(23)21-10-5-13-24-11-3-2-4-12-24/h6-9,14H,2-5,10-13H2,1H3,(H,21,22).
What are the key properties of (4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone?
(4-chlorophenyl)-[3-methyl-2-(3-piperidin-1-ylpropylamino)imidazol-4-yl]methanone has a molecular weight of 360.89 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 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-ylpropylamino)imidazol-4-yl]methanone is sourced from PubChem (CID 11602952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).