2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide

C23H16ClN5O3S — CID 68820024

IUPAC2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C23H16ClN5O3S/c24-20-8-7-19(33-20)23-27-17-6-5-16(11-18(17)28-23)32-13-21(30)26-14-1-3-15(4-2-14)29-10-9-25-12-22(29)31/h1-12H,13H2,(H,26,30)(H,27,28)
InChIKeyFVSHAOPDOUDOKQ-UHFFFAOYSA-N
MW477.93 g/mol
LogP4.51
Rot. Bonds6

About 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide

2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide (PubChem CID 68820024) has the molecular formula C23H16ClN5O3S and a molecular weight of 477.93 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide
PubChem CID68820024
Molecular FormulaC23H16ClN5O3S
Molecular Weight477.93 g/mol
Exact Mass477.07
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide
SMILESO=C(COc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C23H16ClN5O3S/c24-20-8-7-19(33-20)23-27-17-6-5-16(11-18(17)28-23)32-13-21(30)26-14-1-3-15(4-2-14)29-10-9-25-12-22(29)31/h1-12H,13H2,(H,26,30)(H,27,28)
InChIKeyFVSHAOPDOUDOKQ-UHFFFAOYSA-N
XLogP4.51
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.93
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
CID 68820022
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
[5-[[2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]acetyl]amino]-2-phenylphenyl]methanesulfonic acid
CID 174470924
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
2-[2-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717501
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
2-(4-chlorophenoxy)-N-(2-oxo-3H-1,3-benzothiazol-6-yl)acetamide
CID 22577335
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-ethylphenoxy)acetamide
CID 54858782
5-chloro-N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)thiophene-2-carboxamide
CID 166322657
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415
2-(3,4-dichlorophenoxy)-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetamide
CID 55859224
2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 46964448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide (CID 68820024) is 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide is O=C(COc1ccc2nc(-c3ccc(Cl)s3)[nH]c2c1)Nc1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide?
The InChIKey is FVSHAOPDOUDOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O3S/c24-20-8-7-19(33-20)23-27-17-6-5-16(11-18(17)28-23)32-13-21(30)26-14-1-3-15(4-2-14)29-10-9-25-12-22(29)31/h1-12H,13H2,(H,26,30)(H,27,28).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide?
2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide has a molecular weight of 477.93 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 68820024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).