3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

C19H18N6OS — CID 75528051

IUPAC3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H18N6OS/c26-19(13-3-4-14-15(10-13)21-12-20-14)25-7-5-24(6-8-25)18-11-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2,(H,20,21)(H,22,23)
InChIKeyXWHAHUYGHSEPQV-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.98
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (PubChem CID 75528051) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
PubChem CID75528051
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1
InChIInChI=1S/C19H18N6OS/c26-19(13-3-4-14-15(10-13)21-12-20-14)25-7-5-24(6-8-25)18-11-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2,(H,20,21)(H,22,23)
InChIKeyXWHAHUYGHSEPQV-UHFFFAOYSA-N
XLogP2.98
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone (CID 75528051) is 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCN(c2cc(-c3cccs3)[nH]n2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is XWHAHUYGHSEPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c26-19(13-3-4-14-15(10-13)21-12-20-14)25-7-5-24(6-8-25)18-11-16(22-23-18)17-2-1-9-27-17/h1-4,9-12H,5-8H2,(H,20,21)(H,22,23).
What are the key properties of 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 378.46 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75528051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).