2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol

C12H16N4O — CID 81431285

IUPAC2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCNCC3)[nH]c2c1
InChIInChI=1S/C12H16N4O/c17-9-1-2-10-11(7-9)15-12(14-10)8-16-5-3-13-4-6-16/h1-2,7,13,17H,3-6,8H2,(H,14,15)
InChIKeySKDDYBVERQRYJW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.67
Rot. Bonds2

About 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol

2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol (PubChem CID 81431285) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
PubChem CID81431285
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
SMILESOc1ccc2nc(CN3CCNCC3)[nH]c2c1
InChIInChI=1S/C12H16N4O/c17-9-1-2-10-11(7-9)15-12(14-10)8-16-5-3-13-4-6-16/h1-2,7,13,17H,3-6,8H2,(H,14,15)
InChIKeySKDDYBVERQRYJW-UHFFFAOYSA-N
XLogP0.67
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-benzyl-4-hydroxypiperidin-1-yl)methyl]-3H-benzimidazol-5-ol
CID 10065665
2-(1,4-diazepan-1-ylmethyl)-6-methylsulfonyl-1H-benzimidazole
CID 62823587
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
2-[[(3S,4R)-3-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]methyl]-3H-benzimidazol-5-ol
CID 69365114
2-(piperidin-1-ylmethyl)-6-pyrrolidin-1-yl-1H-benzimidazole
CID 168514262
3-(6-hydroxy-1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 141321020
2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(4-benzylpiperazin-1-yl)methyl]-6-chloro-1H-benzimidazole
CID 134084457
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 142672434
2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-ol
CID 81431671

Frequently Asked Questions

What is the IUPAC name of 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol (CID 81431285) is 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol is Oc1ccc2nc(CN3CCNCC3)[nH]c2c1.
What is the InChIKey of 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol?
The InChIKey is SKDDYBVERQRYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-9-1-2-10-11(7-9)15-12(14-10)8-16-5-3-13-4-6-16/h1-2,7,13,17H,3-6,8H2,(H,14,15).
What are the key properties of 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol?
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol has a molecular weight of 232.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 81431285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).