2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol

C16H17N5O — CID 90027524

IUPAC2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol
SMILESOC1CCCN(c2ncccn2)C1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N5O/c22-14-3-1-8-21(16-17-6-2-7-18-16)15(14)11-4-5-12-13(9-11)20-10-19-12/h2,4-7,9-10,14-15,22H,1,3,8H2,(H,19,20)
InChIKeyMLDZXLRBEHTWAL-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.06
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol

2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol (PubChem CID 90027524) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol
PubChem CID90027524
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol
SMILESOC1CCCN(c2ncccn2)C1c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N5O/c22-14-3-1-8-21(16-17-6-2-7-18-16)15(14)11-4-5-12-13(9-11)20-10-19-12/h2,4-7,9-10,14-15,22H,1,3,8H2,(H,19,20)
InChIKeyMLDZXLRBEHTWAL-UHFFFAOYSA-N
XLogP2.06
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol (CID 90027524) is 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol is OC1CCCN(c2ncccn2)C1c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol?
The InChIKey is MLDZXLRBEHTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c22-14-3-1-8-21(16-17-6-2-7-18-16)15(14)11-4-5-12-13(9-11)20-10-19-12/h2,4-7,9-10,14-15,22H,1,3,8H2,(H,19,20).
What are the key properties of 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol?
2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol has a molecular weight of 295.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-1-pyrimidin-2-ylpiperidin-3-ol is sourced from PubChem (CID 90027524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).