2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol

C16H23N3O — CID 86699016

IUPAC2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
SMILESCC(C)(C)c1ccc2nc(C3NCCCC3O)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-16(2,3)10-6-7-11-12(9-10)19-15(18-11)14-13(20)5-4-8-17-14/h6-7,9,13-14,17,20H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyIXWZVWPVYQVHBO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.65
Rot. Bonds1

About 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol

2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol (PubChem CID 86699016) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
PubChem CID86699016
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol
SMILESCC(C)(C)c1ccc2nc(C3NCCCC3O)[nH]c2c1
InChIInChI=1S/C16H23N3O/c1-16(2,3)10-6-7-11-12(9-10)19-15(18-11)14-13(20)5-4-8-17-14/h6-7,9,13-14,17,20H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyIXWZVWPVYQVHBO-UHFFFAOYSA-N
XLogP2.65
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-piperidin-4-yl-1H-benzimidazole
CID 82184491
6-[1-(4-tert-butylphenyl)-5-(2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 58032005
2-(5-methyloxolan-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455819
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
2-(4-methylpiperidin-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 114422504
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545
6-pyridin-4-yl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 67062568
6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol?
The IUPAC name of 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol (CID 86699016) is 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol.
What is the SMILES notation for 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol?
The canonical SMILES for 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol is CC(C)(C)c1ccc2nc(C3NCCCC3O)[nH]c2c1.
What is the InChIKey of 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol?
The InChIKey is IXWZVWPVYQVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)10-6-7-11-12(9-10)19-15(18-11)14-13(20)5-4-8-17-14/h6-7,9,13-14,17,20H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol?
2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol has a molecular weight of 273.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1H-benzimidazol-2-yl)piperidin-3-ol is sourced from PubChem (CID 86699016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).