N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C18H13BrN4OS — CID 24513583

IUPACN-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-17(24)9-23-16-4-2-1-3-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24)
InChIKeyKVASUWWVIWTOKN-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.56
Rot. Bonds4

About N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 24513583) has the molecular formula C18H13BrN4OS and a molecular weight of 413.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID24513583
Molecular FormulaC18H13BrN4OS
Molecular Weight413.30 g/mol
Exact Mass412.00
IUPAC NameN-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-17(24)9-23-16-4-2-1-3-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24)
InChIKeyKVASUWWVIWTOKN-UHFFFAOYSA-N
XLogP4.56
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 24513583) is N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is KVASUWWVIWTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4OS/c19-12-5-7-13(8-6-12)21-17(24)9-23-16-4-2-1-3-14(16)22-18(23)15-10-25-11-20-15/h1-8,10-11H,9H2,(H,21,24).
What are the key properties of N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 413.30 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 24513583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).