[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C18H18N4O2 — CID 99994993

IUPAC[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O2/c23-15-9-5-10-19-16(15)18(24)22-11-4-3-8-14(22)17-20-12-6-1-2-7-13(12)21-17/h1-2,5-7,9-10,14,23H,3-4,8,11H2,(H,20,21)/t14-/m0/s1
InChIKeySJAZWODOYXZOPK-AWEZNQCLSA-N
MW322.37 g/mol
LogP3.03
Rot. Bonds2

About [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 99994993) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID99994993
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H18N4O2/c23-15-9-5-10-19-16(15)18(24)22-11-4-3-8-14(22)17-20-12-6-1-2-7-13(12)21-17/h1-2,5-7,9-10,14,23H,3-4,8,11H2,(H,20,21)/t14-/m0/s1
InChIKeySJAZWODOYXZOPK-AWEZNQCLSA-N
XLogP3.03
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-chloro-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 124879507
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)methanone
CID 126425803
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 91820880
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 99871123
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 124879493
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 124874532
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 99994993) is [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is SJAZWODOYXZOPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-15-9-5-10-19-16(15)18(24)22-11-4-3-8-14(22)17-20-12-6-1-2-7-13(12)21-17/h1-2,5-7,9-10,14,23H,3-4,8,11H2,(H,20,21)/t14-/m0/s1.
What are the key properties of [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 322.37 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 99994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).