[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol

C12H16N4O — CID 130444990

IUPAC[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol
SMILESOCC1CN(c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C12H16N4O/c17-7-9-6-16(4-3-13-9)10-1-2-11-12(5-10)15-8-14-11/h1-2,5,8-9,13,17H,3-4,6-7H2,(H,14,15)
InChIKeyVIBGJMUSDNNTAH-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.33
Rot. Bonds2

About [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol

[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol (PubChem CID 130444990) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol
PubChem CID130444990
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol
SMILESOCC1CN(c2ccc3nc[nH]c3c2)CCN1
InChIInChI=1S/C12H16N4O/c17-7-9-6-16(4-3-13-9)10-1-2-11-12(5-10)15-8-14-11/h1-2,5,8-9,13,17H,3-4,6-7H2,(H,14,15)
InChIKeyVIBGJMUSDNNTAH-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol?
The IUPAC name of [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol (CID 130444990) is [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol.
What is the SMILES notation for [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol?
The canonical SMILES for [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol is OCC1CN(c2ccc3nc[nH]c3c2)CCN1.
What is the InChIKey of [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol?
The InChIKey is VIBGJMUSDNNTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-7-9-6-16(4-3-13-9)10-1-2-11-12(5-10)15-8-14-11/h1-2,5,8-9,13,17H,3-4,6-7H2,(H,14,15).
What are the key properties of [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol?
[4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol has a molecular weight of 232.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-benzimidazol-5-yl)piperazin-2-yl]methanol is sourced from PubChem (CID 130444990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).