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

C24H22ClN5O2S — CID 68820022

IUPAC2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
SMILES[H]/N=C1\CCCCN1c1ccc(NC(=O)COc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C24H22ClN5O2S/c25-21-11-10-20(33-21)24-28-18-9-8-17(13-19(18)29-24)32-14-23(31)27-15-4-6-16(7-5-15)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+
InChIKeyGWDPIDQBZCTRRE-XTCLZLMSSA-N
MW479.99 g/mol
LogP5.93
Rot. Bonds6

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

2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide (PubChem CID 68820022) has the molecular formula C24H22ClN5O2S and a molecular weight of 479.99 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
PubChem CID68820022
Molecular FormulaC24H22ClN5O2S
Molecular Weight479.99 g/mol
Exact Mass479.12
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide
SMILES[H]/N=C1\CCCCN1c1ccc(NC(=O)COc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1
InChIInChI=1S/C24H22ClN5O2S/c25-21-11-10-20(33-21)24-28-18-9-8-17(13-19(18)29-24)32-14-23(31)27-15-4-6-16(7-5-15)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+
InChIKeyGWDPIDQBZCTRRE-XTCLZLMSSA-N
XLogP5.93
TPSA94.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.99
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-oxopyrazin-1-yl)phenyl]acetamide
CID 68820024
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 134041001
2-(4-methoxyphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687329
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 54859094
N-[4-[3-hydroxy-5-imino-4-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrrol-1-yl]phenyl]acetamide
CID 136724486
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
[5-[[2-[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]acetyl]amino]-2-phenylphenyl]methanesulfonic acid
CID 174470924
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 10457032
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide (CID 68820022) is 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide is [H]/N=C1\CCCCN1c1ccc(NC(=O)COc2ccc3nc(-c4ccc(Cl)s4)[nH]c3c2)cc1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
The InChIKey is GWDPIDQBZCTRRE-XTCLZLMSSA-N. The full InChI is InChI=1S/C24H22ClN5O2S/c25-21-11-10-20(33-21)24-28-18-9-8-17(13-19(18)29-24)32-14-23(31)27-15-4-6-16(7-5-15)30-12-2-1-3-22(30)26/h4-11,13,26H,1-3,12,14H2,(H,27,31)(H,28,29)/b26-22+.
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide?
2-[[2-(5-chlorothiophen-2-yl)-3H-benzimidazol-5-yl]oxy]-N-[4-(2-iminopiperidin-1-yl)phenyl]acetamide has a molecular weight of 479.99 g/mol, XLogP of 5.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 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-iminopiperidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 68820022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).