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

C19H16N4O2S — CID 6618978

IUPACN-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-25-14-8-6-13(7-9-14)21-18(24)10-23-17-5-3-2-4-15(17)22-19(23)16-11-26-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyMBQCZEPAGIDJLM-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.81
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 6618978) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID6618978
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C19H16N4O2S/c1-25-14-8-6-13(7-9-14)21-18(24)10-23-17-5-3-2-4-15(17)22-19(23)16-11-26-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,24)
InChIKeyMBQCZEPAGIDJLM-UHFFFAOYSA-N
XLogP3.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 6618978) is N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is MBQCZEPAGIDJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-14-8-6-13(7-9-14)21-18(24)10-23-17-5-3-2-4-15(17)22-19(23)16-11-26-12-20-16/h2-9,11-12H,10H2,1H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 364.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 6618978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).