N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide

C17H22Cl2N4O — CID 42819588

IUPACN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CCN(C)C)Cc1nccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4O/c1-13(24)22(9-8-21(2)3)12-17-20-6-7-23(17)11-14-4-5-15(18)16(19)10-14/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyOSARXNSTRUQWOE-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.15
Rot. Bonds7

About N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide

N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 42819588) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID42819588
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC NameN-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CCN(C)C)Cc1nccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H22Cl2N4O/c1-13(24)22(9-8-21(2)3)12-17-20-6-7-23(17)11-14-4-5-15(18)16(19)10-14/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyOSARXNSTRUQWOE-UHFFFAOYSA-N
XLogP3.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2779191
1-(3-Chlorobenzyl)imidazole
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1-(3,4-dichlorobenzyl)-1H-imidazole
CID 2985081
3,4-Dichloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
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N-(3,4-dichlorobenzyl)-N-[3-(1H-imidazol-1-yl)propyl]amine
CID 5138252
1-[(3,4-Dichlorophenyl)methyl]imidazole-2-carboxylic acid
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1-[(4-Chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one
CID 137348834
5-(1-Benzyl-4-chloroimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306304
(4-Chlorophenyl)-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25848911
N-[2-(3,4-Dichloro-phenyl)-4-(4-imidazol-1-yl-piperidin-1-yl)-butyl]-N-methyl-benzamide
CID 44310165
N-[2-(3,4-Dichloro-phenyl)-4-(3-imidazol-1-yl-azetidin-1-yl)-butyl]-N-methyl-benzamide
CID 44310433
Heme Oxygenase-1-IN-2
CID 162640598

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide (CID 42819588) is N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide is CC(=O)N(CCN(C)C)Cc1nccn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is OSARXNSTRUQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-13(24)22(9-8-21(2)3)12-17-20-6-7-23(17)11-14-4-5-15(18)16(19)10-14/h4-7,10H,8-9,11-12H2,1-3H3.
What are the key properties of N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide?
N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 369.30 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 42819588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).