3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone

C18H19N5O2 — CID 154802619

IUPAC3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C18H19N5O2/c24-11-14-10-19-4-3-17(14)22-5-7-23(8-6-22)18(25)13-1-2-15-16(9-13)21-12-20-15/h1-4,9-10,12,24H,5-8,11H2,(H,20,21)
InChIKeyFBCNBNHNQVGWMH-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.41
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone (PubChem CID 154802619) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
PubChem CID154802619
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(c2ccncc2CO)CC1
InChIInChI=1S/C18H19N5O2/c24-11-14-10-19-4-3-17(14)22-5-7-23(8-6-22)18(25)13-1-2-15-16(9-13)21-12-20-15/h1-4,9-10,12,24H,5-8,11H2,(H,20,21)
InChIKeyFBCNBNHNQVGWMH-UHFFFAOYSA-N
XLogP1.41
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone (CID 154802619) is 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCN(c2ccncc2CO)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is FBCNBNHNQVGWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-11-14-10-19-4-3-17(14)22-5-7-23(8-6-22)18(25)13-1-2-15-16(9-13)21-12-20-15/h1-4,9-10,12,24H,5-8,11H2,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-[3-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 154802619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).