N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

C19H15BrN4OS — CID 155812818

IUPACN-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCc1cc(Br)cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1
InChIInChI=1S/C19H15BrN4OS/c1-12-6-13(20)8-14(7-12)22-18(25)10-24-16-5-3-2-4-15(16)23-19(24)17-9-21-11-26-17/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyJQDANYCMFZXYIT-UHFFFAOYSA-N
MW427.33 g/mol
LogP4.87
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide

N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 155812818) has the molecular formula C19H15BrN4OS and a molecular weight of 427.33 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID155812818
Molecular FormulaC19H15BrN4OS
Molecular Weight427.33 g/mol
Exact Mass426.01
IUPAC NameN-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCc1cc(Br)cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1
InChIInChI=1S/C19H15BrN4OS/c1-12-6-13(20)8-14(7-12)22-18(25)10-24-16-5-3-2-4-15(16)23-19(24)17-9-21-11-26-17/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyJQDANYCMFZXYIT-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
CID 612046
N-[[1-[2-(3,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028988
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745
N-(3-bromophenyl)-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033320
N-(3-methoxyphenyl)-2-(2-thiophen-2-ylbenzimidazol-1-yl)acetamide
CID 17033366
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032560
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082
2-[3-(2-acetamidophenyl)-2-oxoquinoxalin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 20894952
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (CID 155812818) is N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is Cc1cc(Br)cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is JQDANYCMFZXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4OS/c1-12-6-13(20)8-14(7-12)22-18(25)10-24-16-5-3-2-4-15(16)23-19(24)17-9-21-11-26-17/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 427.33 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 155812818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).