6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole

C17H25N5 — CID 83949259

IUPAC6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCCNC3)[nH]c2cc1CN1CCNCC1
InChIInChI=1S/C17H25N5/c1-2-14(11-19-5-1)17-20-15-4-3-13(10-16(15)21-17)12-22-8-6-18-7-9-22/h3-4,10,14,18-19H,1-2,5-9,11-12H2,(H,20,21)
InChIKeyBOQZATILUFQBHB-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.44
Rot. Bonds3

About 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole

6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole (PubChem CID 83949259) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
PubChem CID83949259
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole
SMILESc1cc2nc(C3CCCNC3)[nH]c2cc1CN1CCNCC1
InChIInChI=1S/C17H25N5/c1-2-14(11-19-5-1)17-20-15-4-3-13(10-16(15)21-17)12-22-8-6-18-7-9-22/h3-4,10,14,18-19H,1-2,5-9,11-12H2,(H,20,21)
InChIKeyBOQZATILUFQBHB-UHFFFAOYSA-N
XLogP1.44
TPSA55.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
2-piperidin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 83424440
6-ethoxy-2-piperidin-3-yl-1H-benzimidazole
CID 82331880
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propan-1-ol
CID 84816442
2-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]ethanethioamide
CID 84816446
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanenitrile
CID 84816437
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973
3-[(2-piperidin-3-yl-3H-benzimidazol-5-yl)oxy]propanethioamide
CID 84816445
2-piperidin-4-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 95473984
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688

Frequently Asked Questions

What is the IUPAC name of 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole?
The IUPAC name of 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole (CID 83949259) is 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole.
What is the SMILES notation for 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole?
The canonical SMILES for 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole is c1cc2nc(C3CCCNC3)[nH]c2cc1CN1CCNCC1.
What is the InChIKey of 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole?
The InChIKey is BOQZATILUFQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-2-14(11-19-5-1)17-20-15-4-3-13(10-16(15)21-17)12-22-8-6-18-7-9-22/h3-4,10,14,18-19H,1-2,5-9,11-12H2,(H,20,21).
What are the key properties of 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole?
6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole has a molecular weight of 299.42 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperazin-1-ylmethyl)-2-piperidin-3-yl-1H-benzimidazole is sourced from PubChem (CID 83949259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).