2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

C19H24N4OS — CID 45186034

IUPAC2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1
InChIInChI=1S/C19H24N4OS/c24-9-5-16-12-22(7-8-23(16)11-15-6-10-25-14-15)13-19-20-17-3-1-2-4-18(17)21-19/h1-4,6,10,14,16,24H,5,7-9,11-13H2,(H,20,21)
InChIKeyKLJBEJXQBJEMRW-UHFFFAOYSA-N
MW356.50 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 45186034) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
PubChem CID45186034
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
SMILESOCCC1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1
InChIInChI=1S/C19H24N4OS/c24-9-5-16-12-22(7-8-23(16)11-15-6-10-25-14-15)13-19-20-17-3-1-2-4-18(17)21-19/h1-4,6,10,14,16,24H,5,7-9,11-13H2,(H,20,21)
InChIKeyKLJBEJXQBJEMRW-UHFFFAOYSA-N
XLogP2.69
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol (CID 45186034) is 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is OCCC1CN(Cc2nc3ccccc3[nH]2)CCN1Cc1ccsc1.
What is the InChIKey of 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is KLJBEJXQBJEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-9-5-16-12-22(7-8-23(16)11-15-6-10-25-14-15)13-19-20-17-3-1-2-4-18(17)21-19/h1-4,6,10,14,16,24H,5,7-9,11-13H2,(H,20,21).
What are the key properties of 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol?
2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 356.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-benzimidazol-2-ylmethyl)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45186034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).