1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

C20H22N4O — CID 2085389

IUPAC1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15(25)16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-20-21-18-4-2-3-5-19(18)22-20/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyYKOBOYXUWBZZIM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.09
Rot. Bonds4

About 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone

1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone (PubChem CID 2085389) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
PubChem CID2085389
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C20H22N4O/c1-15(25)16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-20-21-18-4-2-3-5-19(18)22-20/h2-9H,10-14H2,1H3,(H,21,22)
InChIKeyYKOBOYXUWBZZIM-UHFFFAOYSA-N
XLogP3.09
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone (CID 2085389) is 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
The InChIKey is YKOBOYXUWBZZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(25)16-6-8-17(9-7-16)24-12-10-23(11-13-24)14-20-21-18-4-2-3-5-19(18)22-20/h2-9H,10-14H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone?
1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 2085389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).