2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide

C18H24Cl2N4O — CID 71916380

IUPAC2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCN(CC)C(C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H24Cl2N4O/c1-3-24(4-2)17(14-10-15(19)12-16(20)11-14)18(25)22-6-5-8-23-9-7-21-13-23/h7,9-13,17H,3-6,8H2,1-2H3,(H,22,25)
InChIKeyGOKJCOIBBIYEIK-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.78
Rot. Bonds9

About 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide

2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 71916380) has the molecular formula C18H24Cl2N4O and a molecular weight of 383.32 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID71916380
Molecular FormulaC18H24Cl2N4O
Molecular Weight383.32 g/mol
Exact Mass382.13
IUPAC Name2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCCN(CC)C(C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H24Cl2N4O/c1-3-24(4-2)17(14-10-15(19)12-16(20)11-14)18(25)22-6-5-8-23-9-7-21-13-23/h7,9-13,17H,3-6,8H2,1-2H3,(H,22,25)
InChIKeyGOKJCOIBBIYEIK-UHFFFAOYSA-N
XLogP3.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-bromo-N-(4-imidazol-1-ylbutyl)propanamide
CID 107905070
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-imidazol-1-ylpropyl)urea
CID 110893650
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 100554000
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
3-imidazol-1-ylpropylurea
CID 22179621
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
3-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-pyrrol-1-ylpropanamide
CID 110204989

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide (CID 71916380) is 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide is CCN(CC)C(C(=O)NCCCn1ccnc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is GOKJCOIBBIYEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O/c1-3-24(4-2)17(14-10-15(19)12-16(20)11-14)18(25)22-6-5-8-23-9-7-21-13-23/h7,9-13,17H,3-6,8H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 383.32 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(diethylamino)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 71916380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).