N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide

C17H17N3O3S — CID 58381422

IUPACN-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C17H17N3O3S/c1-10(21)18-8-2-4-12(22)11-6-7-13(23)16-15(11)19-17(20-16)14-5-3-9-24-14/h3,5-7,9,23H,2,4,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyREBAHSOARXVHIS-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.10
Rot. Bonds6

About N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide

N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide (PubChem CID 58381422) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
PubChem CID58381422
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
SMILESCC(=O)NCCCC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C17H17N3O3S/c1-10(21)18-8-2-4-12(22)11-6-7-13(23)16-15(11)19-17(20-16)14-5-3-9-24-14/h3,5-7,9,23H,2,4,8H2,1H3,(H,18,21)(H,19,20)
InChIKeyREBAHSOARXVHIS-UHFFFAOYSA-N
XLogP3.10
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide?
The IUPAC name of N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide (CID 58381422) is N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide.
What is the SMILES notation for N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide?
The canonical SMILES for N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide is CC(=O)NCCCC(=O)c1ccc(O)c2[nH]c(-c3cccs3)nc12.
What is the InChIKey of N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide?
The InChIKey is REBAHSOARXVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10(21)18-8-2-4-12(22)11-6-7-13(23)16-15(11)19-17(20-16)14-5-3-9-24-14/h3,5-7,9,23H,2,4,8H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide?
N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide is sourced from PubChem (CID 58381422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).