N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide

C19H14ClN3OS — CID 17033372

IUPACN-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3OS/c20-13-7-9-14(10-8-13)21-18(24)12-23-16-5-2-1-4-15(16)22-19(23)17-6-3-11-25-17/h1-11H,12H2,(H,21,24)
InChIKeyJQQSXLGQRAVIKP-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.06
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide

N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 17033372) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
PubChem CID17033372
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC NameN-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)nc2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3OS/c20-13-7-9-14(10-8-13)21-18(24)12-23-16-5-2-1-4-15(16)22-19(23)17-6-3-11-25-17/h1-11H,12H2,(H,21,24)
InChIKeyJQQSXLGQRAVIKP-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
3-(1H-Benzoimidazol-2-ylmethylsulfanyl)-1-(4-chloro-phenyl)-pyrrolidine-2,5-dione
CID 2951422
N-(4-Chloro-phenyl)-2-(2-thiazol-4-yl-benzoimidazol-1-yl)-acetamide
CID 1139867
N-(3-chlorophenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)acetamide
CID 24513641
N-(4-chlorophenyl)-2-(2-thiazol-2-ylbenzimidazol-1-yl)acetamide
CID 45257352
N-(4-chlorophenyl)-2-(2-thiazol-2-ylbenzimidazol-1-yl)propanamide
CID 57391311
N-(4-chlorophenyl)-2-(2-thiazol-4-ylbenzimidazol-1-yl)propanamide
CID 57394813
N-(3,4-dichlorophenyl)-2-(2-thiazol-2-ylbenzimidazol-1-yl)acetamide
CID 57403530
5-(5-chloro-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
CID 58284850
1H-Benzoimidazole, 1-(2-chlorobenzyl)-2-(thiophen-2-yl)-
CID 709543
N-(4-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 2990648
2-[4-(1-Isopropyl-1H-benzoimidazol-2-yl)-piperazin-1-yl]-N-thiophen-2-ylmethyl-acetamide
CID 646377

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide (CID 17033372) is N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)nc2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is JQQSXLGQRAVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c20-13-7-9-14(10-8-13)21-18(24)12-23-16-5-2-1-4-15(16)22-19(23)17-6-3-11-25-17/h1-11H,12H2,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide?
N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 367.86 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 17033372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).