6-(piperazin-1-ylmethoxy)-1H-benzimidazole

C12H16N4O — CID 84816221

IUPAC6-(piperazin-1-ylmethoxy)-1H-benzimidazole
SMILESc1nc2ccc(OCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-11-12(15-8-14-11)7-10(1)17-9-16-5-3-13-4-6-16/h1-2,7-8,13H,3-6,9H2,(H,14,15)
InChIKeyVDASEBYDHSTSHX-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.80
Rot. Bonds3

About 6-(piperazin-1-ylmethoxy)-1H-benzimidazole

6-(piperazin-1-ylmethoxy)-1H-benzimidazole (PubChem CID 84816221) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethoxy)-1H-benzimidazole.

Molecular Properties

Compound Name6-(piperazin-1-ylmethoxy)-1H-benzimidazole
PubChem CID84816221
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-(piperazin-1-ylmethoxy)-1H-benzimidazole
SMILESc1nc2ccc(OCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-2-11-12(15-8-14-11)7-10(1)17-9-16-5-3-13-4-6-16/h1-2,7-8,13H,3-6,9H2,(H,14,15)
InChIKeyVDASEBYDHSTSHX-UHFFFAOYSA-N
XLogP0.80
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
CID 82497581
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
CID 82497699
4-(3H-benzimidazol-5-yloxy)butanenitrile
CID 84816220
3-(3H-benzimidazol-5-yl)-4-[4-(2-piperazin-1-ylethoxy)phenyl]-1,3-oxazolidin-2-one
CID 67117327
(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
CID 54502108
4-(3H-benzimidazol-5-yloxy)aniline
CID 18375963
6-(4-ethylphenoxy)-1H-benzimidazole
CID 143445574
3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
CID 167275121
1-(3H-benzimidazol-5-yl)-1-piperazin-1-ylpropan-2-one
CID 116859880
2-(piperazin-1-ylmethoxy)pyrimidine
CID 91340296
1H-benzimidazole;piperidine
CID 66784764

Frequently Asked Questions

What is the IUPAC name of 6-(piperazin-1-ylmethoxy)-1H-benzimidazole?
The IUPAC name of 6-(piperazin-1-ylmethoxy)-1H-benzimidazole (CID 84816221) is 6-(piperazin-1-ylmethoxy)-1H-benzimidazole.
What is the SMILES notation for 6-(piperazin-1-ylmethoxy)-1H-benzimidazole?
The canonical SMILES for 6-(piperazin-1-ylmethoxy)-1H-benzimidazole is c1nc2ccc(OCN3CCNCC3)cc2[nH]1.
What is the InChIKey of 6-(piperazin-1-ylmethoxy)-1H-benzimidazole?
The InChIKey is VDASEBYDHSTSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-11-12(15-8-14-11)7-10(1)17-9-16-5-3-13-4-6-16/h1-2,7-8,13H,3-6,9H2,(H,14,15).
What are the key properties of 6-(piperazin-1-ylmethoxy)-1H-benzimidazole?
6-(piperazin-1-ylmethoxy)-1H-benzimidazole has a molecular weight of 232.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazin-1-ylmethoxy)-1H-benzimidazole is sourced from PubChem (CID 84816221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).