2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide

C15H18Cl2N4O — CID 110429514

IUPAC2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCN(C)c1ccc(C(NC(=O)C(Cl)Cl)c2nccn2C)cc1
InChIInChI=1S/C15H18Cl2N4O/c1-20(2)11-6-4-10(5-7-11)12(19-15(22)13(16)17)14-18-8-9-21(14)3/h4-9,12-13H,1-3H3,(H,19,22)
InChIKeySLNPOHGIDPAWFZ-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.50
Rot. Bonds5

About 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide

2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 110429514) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID110429514
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide
SMILESCN(C)c1ccc(C(NC(=O)C(Cl)Cl)c2nccn2C)cc1
InChIInChI=1S/C15H18Cl2N4O/c1-20(2)11-6-4-10(5-7-11)12(19-15(22)13(16)17)14-18-8-9-21(14)3/h4-9,12-13H,1-3H3,(H,19,22)
InChIKeySLNPOHGIDPAWFZ-UHFFFAOYSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N-[(1-methylimidazol-2-yl)-(4-methylphenyl)methyl]benzamide
CID 110429568
butyl N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]carbamate
CID 110429456
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 110429513
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 110429573
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110429518
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylbutanamide
CID 51331957
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide (CID 110429514) is 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide is CN(C)c1ccc(C(NC(=O)C(Cl)Cl)c2nccn2C)cc1.
What is the InChIKey of 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is SLNPOHGIDPAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-20(2)11-6-4-10(5-7-11)12(19-15(22)13(16)17)14-18-8-9-21(14)3/h4-9,12-13H,1-3H3,(H,19,22).
What are the key properties of 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide?
2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 341.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110429514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).