[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone

C22H20N4O — CID 70722462

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20N4O/c27-22(20-17-8-2-1-6-15(17)11-12-23-20)26-13-5-7-16(14-26)21-24-18-9-3-4-10-19(18)25-21/h1-4,6,8-12,16H,5,7,13-14H2,(H,24,25)
InChIKeyNEUFRICIISBMCP-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.13
Rot. Bonds2

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone (PubChem CID 70722462) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
PubChem CID70722462
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone
SMILESO=C(c1nccc2ccccc12)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H20N4O/c27-22(20-17-8-2-1-6-15(17)11-12-23-20)26-13-5-7-16(14-26)21-24-18-9-3-4-10-19(18)25-21/h1-4,6,8-12,16H,5,7,13-14H2,(H,24,25)
InChIKeyNEUFRICIISBMCP-UHFFFAOYSA-N
XLogP4.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
3-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 51649138
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-difluoro-2-pyridinyl)methanone
CID 95868077
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-butylphthalazin-1-one
CID 47017728
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone (CID 70722462) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone is O=C(c1nccc2ccccc12)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
The InChIKey is NEUFRICIISBMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(20-17-8-2-1-6-15(17)11-12-23-20)26-13-5-7-16(14-26)21-24-18-9-3-4-10-19(18)25-21/h1-4,6,8-12,16H,5,7,13-14H2,(H,24,25).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-isoquinolin-1-ylmethanone is sourced from PubChem (CID 70722462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).