2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone

C16H22N4O2 — CID 51142185

IUPAC2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N4O2/c21-11-8-17-16-18-13-6-2-3-7-14(13)20(16)12-15(22)19-9-4-1-5-10-19/h2-3,6-7,21H,1,4-5,8-12H2,(H,17,18)
InChIKeyFBHFHZWCSNQGFO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 51142185) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID51142185
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N4O2/c21-11-8-17-16-18-13-6-2-3-7-14(13)20(16)12-15(22)19-9-4-1-5-10-19/h2-3,6-7,21H,1,4-5,8-12H2,(H,17,18)
InChIKeyFBHFHZWCSNQGFO-UHFFFAOYSA-N
XLogP1.45
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
2-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]amino]ethanol chloride
CID 53313615
1-(4-bromophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrobromide
CID 2851199
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020
N-[(4-chlorophenyl)methyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
CID 51142146
1-(3-chlorophenyl)-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]ethanone;hydrochloride
CID 146052223
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone (CID 51142185) is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone is O=C(Cn1c(NCCO)nc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is FBHFHZWCSNQGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-11-8-17-16-18-13-6-2-3-7-14(13)20(16)12-15(22)19-9-4-1-5-10-19/h2-3,6-7,21H,1,4-5,8-12H2,(H,17,18).
What are the key properties of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 302.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 51142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).