(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone

C16H16N4O2S — CID 46191004

IUPAC(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(O)c2[nH]c(-c3cccs3)nc12)N1CCNCC1
InChIInChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)20-7-5-17-6-8-20)13-14(11)19-15(18-13)12-2-1-9-23-12/h1-4,9,17,21H,5-8H2,(H,18,19)
InChIKeyFHHUOFULEQWBBV-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.04
Rot. Bonds2

About (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone

(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 46191004) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone
PubChem CID46191004
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone
SMILESO=C(c1ccc(O)c2[nH]c(-c3cccs3)nc12)N1CCNCC1
InChIInChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)20-7-5-17-6-8-20)13-14(11)19-15(18-13)12-2-1-9-23-12/h1-4,9,17,21H,5-8H2,(H,18,19)
InChIKeyFHHUOFULEQWBBV-UHFFFAOYSA-N
XLogP2.04
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)ethanone
CID 143935646
7-hydroxy-N-pyrrolidin-3-yl-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 46191079
2-[(7-hydroxy-2-thiophen-2-yl-1H-benzimidazole-4-carbonyl)amino]acetic acid
CID 143935625
N-[4-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-4-oxobutyl]acetamide
CID 58381422
5-(piperazine-1-carbonyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446499
7-hydroxy-N-[2-(4-methylanilino)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 67084259
4-[3-(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-3-oxopropyl]benzenesulfonamide
CID 58381383
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
7-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628621
7-hydroxy-N-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-yl-1H-benzimidazole-4-carboxamide
CID 44628153
(2-phenyl-8-thiophen-2-ylquinolin-4-yl)-piperazin-1-ylmethanone
CID 162644748
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone (CID 46191004) is (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone is O=C(c1ccc(O)c2[nH]c(-c3cccs3)nc12)N1CCNCC1.
What is the InChIKey of (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is FHHUOFULEQWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-11-4-3-10(16(22)20-7-5-17-6-8-20)13-14(11)19-15(18-13)12-2-1-9-23-12/h1-4,9,17,21H,5-8H2,(H,18,19).
What are the key properties of (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone?
(7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 328.40 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2-thiophen-2-yl-1H-benzimidazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 46191004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).