N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

C21H15Cl2N5OS — CID 20597661

IUPACN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C21H15Cl2N5OS/c22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18/h1-11,13H,12H2,(H,27,29)
InChIKeyHPIOCHPCTSZNLQ-UHFFFAOYSA-N
MW456.36 g/mol
LogP5.51
Rot. Bonds6

About N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (PubChem CID 20597661) has the molecular formula C21H15Cl2N5OS and a molecular weight of 456.36 g/mol. Its IUPAC name is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
PubChem CID20597661
Molecular FormulaC21H15Cl2N5OS
Molecular Weight456.36 g/mol
Exact Mass455.04
IUPAC NameN-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1
InChIInChI=1S/C21H15Cl2N5OS/c22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18/h1-11,13H,12H2,(H,27,29)
InChIKeyHPIOCHPCTSZNLQ-UHFFFAOYSA-N
XLogP5.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-(9H-fluoren-2-yl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide;N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 160870434
3-(pyrazin-2-ylsulfanylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 20597448
N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-(3,5-dibromo-4-methylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 10278221
N-(3-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597650
N-(6-methoxy-3-pyridinyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597736
N-(3-methoxy-4-phenylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597642
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597673
N-(3,4-dichlorophenyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 20597602
N-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)benzamide
CID 47060460
N-phenyl-3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 55861691
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]imidazole-4-carboxamide
CID 36542645

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide (CID 20597661) is N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is O=C(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1cccc(CSc2cnccn2)c1.
What is the InChIKey of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
The InChIKey is HPIOCHPCTSZNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5OS/c22-19-20(23)28(13-26-19)17-6-4-16(5-7-17)27-21(29)15-3-1-2-14(10-15)12-30-18-11-24-8-9-25-18/h1-11,13H,12H2,(H,27,29).
What are the key properties of N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide?
N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide has a molecular weight of 456.36 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-(pyrazin-2-ylsulfanylmethyl)benzamide is sourced from PubChem (CID 20597661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).