[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C19H25N3O2 — CID 92554912

IUPAC[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2cc1C
InChIInChI=1S/C19H25N3O2/c1-12-10-14-15(11-13(12)2)21-18(20-14)16-6-3-4-8-22(16)19(23)17-7-5-9-24-17/h10-11,16-17H,3-9H2,1-2H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyWTFBEFFUHZFOSL-IAGOWNOFSA-N
MW327.43 g/mol
LogP3.41
Rot. Bonds2

About [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 92554912) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID92554912
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCc1cc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2cc1C
InChIInChI=1S/C19H25N3O2/c1-12-10-14-15(11-13(12)2)21-18(20-14)16-6-3-4-8-22(16)19(23)17-7-5-9-24-17/h10-11,16-17H,3-9H2,1-2H3,(H,20,21)/t16-,17-/m1/s1
InChIKeyWTFBEFFUHZFOSL-IAGOWNOFSA-N
XLogP3.41
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92554910
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
[(2S)-2-[6-[4-[2-[(2S)-1-[(2S)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 46869079
cyclopropyl-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 67531327
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 126470110
1-[2-[6-[2-[2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 67530670
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 99780038
4-[(2R)-1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 95849261
[2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 16668925
1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 51584706
[(2S)-2-[6-[4-[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-3H-benzimidazol-5-yl]buta-1,3-diynyl]-1H-benzimidazol-2-yl]piperidin-1-yl]-cyclopentylmethanone
CID 58348635
6-(cyclopentanecarbonyl)-2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774696

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 92554912) is [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is Cc1cc2nc([C@H]3CCCCN3C(=O)[C@H]3CCCO3)[nH]c2cc1C.
What is the InChIKey of [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is WTFBEFFUHZFOSL-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-10-14-15(11-13(12)2)21-18(20-14)16-6-3-4-8-22(16)19(23)17-7-5-9-24-17/h10-11,16-17H,3-9H2,1-2H3,(H,20,21)/t16-,17-/m1/s1.
What are the key properties of [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 92554912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).