[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C17H19N5O — CID 124986227

IUPAC[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-21-11-9-14(20-21)17(23)22-10-5-4-8-15(22)16-18-12-6-2-3-7-13(12)19-16/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyNXAYZMBDYQOTDM-OAHLLOKOSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds2

About [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 124986227) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID124986227
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-21-11-9-14(20-21)17(23)22-10-5-4-8-15(22)16-18-12-6-2-3-7-13(12)19-16/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyNXAYZMBDYQOTDM-OAHLLOKOSA-N
XLogP2.66
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
6-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-propylpyridazin-3-one
CID 47014760
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 94485262
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 75490249

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 124986227) is [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)n1.
What is the InChIKey of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is NXAYZMBDYQOTDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-11-9-14(20-21)17(23)22-10-5-4-8-15(22)16-18-12-6-2-3-7-13(12)19-16/h2-3,6-7,9,11,15H,4-5,8,10H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 309.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 124986227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).