1H-benzimidazol-2-yl(piperidin-4-yl)methanone

C13H15N3O — CID 18333277

IUPAC1H-benzimidazol-2-yl(piperidin-4-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CCNCC1
InChIInChI=1S/C13H15N3O/c17-12(9-5-7-14-8-6-9)13-15-10-3-1-2-4-11(10)16-13/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyAAUXWIRWTKPURY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.75
Rot. Bonds2

About 1H-benzimidazol-2-yl(piperidin-4-yl)methanone

1H-benzimidazol-2-yl(piperidin-4-yl)methanone (PubChem CID 18333277) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl(piperidin-4-yl)methanone
PubChem CID18333277
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1H-benzimidazol-2-yl(piperidin-4-yl)methanone
SMILESO=C(c1nc2ccccc2[nH]1)C1CCNCC1
InChIInChI=1S/C13H15N3O/c17-12(9-5-7-14-8-6-9)13-15-10-3-1-2-4-11(10)16-13/h1-4,9,14H,5-8H2,(H,15,16)
InChIKeyAAUXWIRWTKPURY-UHFFFAOYSA-N
XLogP1.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
N-(1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
CID 119669181
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
[4-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-piperidin-4-ylmethanone
CID 142636383
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 41273796
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl(piperidin-4-yl)methanone?
The IUPAC name of 1H-benzimidazol-2-yl(piperidin-4-yl)methanone (CID 18333277) is 1H-benzimidazol-2-yl(piperidin-4-yl)methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl(piperidin-4-yl)methanone?
The canonical SMILES for 1H-benzimidazol-2-yl(piperidin-4-yl)methanone is O=C(c1nc2ccccc2[nH]1)C1CCNCC1.
What is the InChIKey of 1H-benzimidazol-2-yl(piperidin-4-yl)methanone?
The InChIKey is AAUXWIRWTKPURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-12(9-5-7-14-8-6-9)13-15-10-3-1-2-4-11(10)16-13/h1-4,9,14H,5-8H2,(H,15,16).
What are the key properties of 1H-benzimidazol-2-yl(piperidin-4-yl)methanone?
1H-benzimidazol-2-yl(piperidin-4-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 18333277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).