2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C18H21N5O — CID 56763995

IUPAC2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H21N5O/c24-18(13-22-14-19-16-4-1-2-5-17(16)22)21-10-6-15(7-11-21)12-23-9-3-8-20-23/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyJFHVOLHZPGARER-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.17
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 56763995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID56763995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cnc2ccccc21)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H21N5O/c24-18(13-22-14-19-16-4-1-2-5-17(16)22)21-10-6-15(7-11-21)12-23-9-3-8-20-23/h1-5,8-9,14-15H,6-7,10-13H2
InChIKeyJFHVOLHZPGARER-UHFFFAOYSA-N
XLogP2.17
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone 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-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 56763995) is 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is O=C(Cn1cnc2ccccc21)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is JFHVOLHZPGARER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-18(13-22-14-19-16-4-1-2-5-17(16)22)21-10-6-15(7-11-21)12-23-9-3-8-20-23/h1-5,8-9,14-15H,6-7,10-13H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 56763995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).