1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C19H21N5O — CID 67971561

IUPAC1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1
InChIInChI=1S/C19H21N5O/c1-14(25)23-10-12-24(13-11-23)18-9-5-7-16(20-18)19-21-15-6-3-4-8-17(15)22(19)2/h3-9H,10-13H2,1-2H3
InChIKeyYPLKPXYWZXTXPM-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.30
Rot. Bonds2

About 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 67971561) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID67971561
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1
InChIInChI=1S/C19H21N5O/c1-14(25)23-10-12-24(13-11-23)18-9-5-7-16(20-18)19-21-15-6-3-4-8-17(15)22(19)2/h3-9H,10-13H2,1-2H3
InChIKeyYPLKPXYWZXTXPM-UHFFFAOYSA-N
XLogP2.30
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 67971561) is 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cccc(-c3nc4ccccc4n3C)n2)CC1.
What is the InChIKey of 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is YPLKPXYWZXTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14(25)23-10-12-24(13-11-23)18-9-5-7-16(20-18)19-21-15-6-3-4-8-17(15)22(19)2/h3-9H,10-13H2,1-2H3.
What are the key properties of 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(1-methylbenzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 67971561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).