3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C15H19N3O2 — CID 43421691

IUPAC3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCCC1CCO
InChIInChI=1S/C15H19N3O2/c19-8-6-12-3-1-2-7-18(12)15(20)11-4-5-13-14(9-11)17-10-16-13/h4-5,9-10,12,19H,1-3,6-8H2,(H,16,17)
InChIKeyVCNQLHIGJIBRHV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.94
Rot. Bonds3

About 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 43421691) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID43421691
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCCCC1CCO
InChIInChI=1S/C15H19N3O2/c19-8-6-12-3-1-2-7-18(12)15(20)11-4-5-13-14(9-11)17-10-16-13/h4-5,9-10,12,19H,1-3,6-8H2,(H,16,17)
InChIKeyVCNQLHIGJIBRHV-UHFFFAOYSA-N
XLogP1.94
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-2-carboxamide
CID 43582965
3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
[2-(2-hydroxyethyl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60742117
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
N-[3-[2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3H-benzimidazole-5-carboxamide;dihydrochloride
CID 119631600
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(4-bromo-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103956467
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 62166096

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 43421691) is 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCCCC1CCO.
What is the InChIKey of 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is VCNQLHIGJIBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-8-6-12-3-1-2-7-18(12)15(20)11-4-5-13-14(9-11)17-10-16-13/h4-5,9-10,12,19H,1-3,6-8H2,(H,16,17).
What are the key properties of 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43421691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).