1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

C17H23N3O2 — CID 46909812

IUPAC1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)11-12-7-9-20(10-8-12)16(21)15-18-13-5-3-4-6-14(13)19-15/h3-6,12,22H,7-11H2,1-2H3,(H,18,19)
InChIKeyZCKTVNQIWGZETA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.58
Rot. Bonds3

About 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone

1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 46909812) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
PubChem CID46909812
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)(O)CC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H23N3O2/c1-17(2,22)11-12-7-9-20(10-8-12)16(21)15-18-13-5-3-4-6-14(13)19-15/h3-6,12,22H,7-11H2,1-2H3,(H,18,19)
InChIKeyZCKTVNQIWGZETA-UHFFFAOYSA-N
XLogP2.58
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 46909908
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(4-nitro-1H-benzimidazol-2-yl)methanone
CID 70848897
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131904491
1H-benzimidazol-2-yl-[4-[(3-nitro-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 159318519
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
1H-benzimidazol-2-yl-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 126428921
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
2-[4-[(4-tert-butyltriazol-1-yl)methyl]piperidine-1-carbonyl]-3H-quinazolin-4-one
CID 135966433
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone (CID 46909812) is 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is CC(C)(O)CC1CCN(C(=O)c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is ZCKTVNQIWGZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,22)11-12-7-9-20(10-8-12)16(21)15-18-13-5-3-4-6-14(13)19-15/h3-6,12,22H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46909812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).