2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone

C23H18Cl3N3O2 — CID 58986149

IUPAC2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOc1ccccc1
InChIInChI=1S/C23H18Cl3N3O2/c24-15-9-10-17(19(26)13-15)21(30)14-29-20-8-4-7-18(25)22(20)28(23(29)27)11-12-31-16-5-2-1-3-6-16/h1-10,13,27H,11-12,14H2/b27-23-
InChIKeyYNKBRCPTBWCKLB-VYIQYICTSA-N
MW474.78 g/mol
LogP5.84
Rot. Bonds7

About 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone

2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 58986149) has the molecular formula C23H18Cl3N3O2 and a molecular weight of 474.78 g/mol. Its IUPAC name is 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
PubChem CID58986149
Molecular FormulaC23H18Cl3N3O2
Molecular Weight474.78 g/mol
Exact Mass473.05
IUPAC Name2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
SMILES[H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOc1ccccc1
InChIInChI=1S/C23H18Cl3N3O2/c24-15-9-10-17(19(26)13-15)21(30)14-29-20-8-4-7-18(25)22(20)28(23(29)27)11-12-31-16-5-2-1-3-6-16/h1-10,13,27H,11-12,14H2/b27-23-
InChIKeyYNKBRCPTBWCKLB-VYIQYICTSA-N
XLogP5.84
TPSA60.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
CID 58986058
2-[4-chloro-2-imino-3-(3-methoxypropyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone
CID 58985934
N-[2-[7-chloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methyl-2-phenylacetamide
CID 58986213
2-[4-chloro-2-imino-3-(2-methoxyethyl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethanone
CID 58985905
4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 86288558
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
CID 17370592
N-[3-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-7-ethyl-2-iminobenzimidazol-1-yl]propyl]-N-methyl-2-phenylacetamide;dihydrobromide
CID 158664069
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethanone
CID 43798625
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone (CID 58986149) is 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone is [H]/N=c1\n(CC(=O)c2ccc(Cl)cc2Cl)c2cccc(Cl)c2n1CCOc1ccccc1.
What is the InChIKey of 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is YNKBRCPTBWCKLB-VYIQYICTSA-N. The full InChI is InChI=1S/C23H18Cl3N3O2/c24-15-9-10-17(19(26)13-15)21(30)14-29-20-8-4-7-18(25)22(20)28(23(29)27)11-12-31-16-5-2-1-3-6-16/h1-10,13,27H,11-12,14H2/b27-23-.
What are the key properties of 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone?
2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 474.78 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-imino-3-(2-phenoxyethyl)benzimidazol-1-yl]-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 58986149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).