2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone

C17H13Cl2N3O — CID 158314865

IUPAC2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
SMILESNc1ncc(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2)[nH]1
InChIInChI=1S/C17H13Cl2N3O/c18-13-6-5-12(8-14(13)19)16(23)7-10-1-3-11(4-2-10)15-9-21-17(20)22-15/h1-6,8-9H,7H2,(H3,20,21,22)
InChIKeyGODGIZHFKLHPJL-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.39
Rot. Bonds4

About 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone

2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone (PubChem CID 158314865) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
PubChem CID158314865
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
SMILESNc1ncc(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2)[nH]1
InChIInChI=1S/C17H13Cl2N3O/c18-13-6-5-12(8-14(13)19)16(23)7-10-1-3-11(4-2-10)15-9-21-17(20)22-15/h1-6,8-9H,7H2,(H3,20,21,22)
InChIKeyGODGIZHFKLHPJL-UHFFFAOYSA-N
XLogP4.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-methylbenzamide
CID 162665607
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-3-chloro-4-fluorobenzamide
CID 118711465
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491660
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
1-[5-(2-amino-1H-imidazol-5-yl)-2-fluorophenyl]-3-(3,4-dichlorophenyl)urea
CID 135329848
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[4-(3,5-dimethylphenyl)phenyl]acetamide;thiohydroxylamine
CID 177349139
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(4-bromophenyl)-1-(4-chloro-3-methylphenyl)ethanone
CID 113397199
1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
N-[[4-(2-amino-1H-imidazol-5-yl)phenyl]methyl]-2-[6-(4-chlorophenyl)-3-pyridinyl]acetamide;thiohydroxylamine
CID 177349019

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone (CID 158314865) is 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone is Nc1ncc(-c2ccc(CC(=O)c3ccc(Cl)c(Cl)c3)cc2)[nH]1.
What is the InChIKey of 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is GODGIZHFKLHPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-13-6-5-12(8-14(13)19)16(23)7-10-1-3-11(4-2-10)15-9-21-17(20)22-15/h1-6,8-9H,7H2,(H3,20,21,22).
What are the key properties of 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone?
2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 346.22 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 158314865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).