5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one

C14H18N4O2 — CID 63662334

IUPAC5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
SMILESCC(O)c1nc2cc(N)ccc2n1C1CCC(=O)NC1
InChIInChI=1S/C14H18N4O2/c1-8(19)14-17-11-6-9(15)2-4-12(11)18(14)10-3-5-13(20)16-7-10/h2,4,6,8,10,19H,3,5,7,15H2,1H3,(H,16,20)
InChIKeyXCVGPRVNAWVSSP-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.12
Rot. Bonds2

About 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one

5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one (PubChem CID 63662334) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
PubChem CID63662334
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
SMILESCC(O)c1nc2cc(N)ccc2n1C1CCC(=O)NC1
InChIInChI=1S/C14H18N4O2/c1-8(19)14-17-11-6-9(15)2-4-12(11)18(14)10-3-5-13(20)16-7-10/h2,4,6,8,10,19H,3,5,7,15H2,1H3,(H,16,20)
InChIKeyXCVGPRVNAWVSSP-UHFFFAOYSA-N
XLogP1.12
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one
CID 63662164
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
CID 106186996
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
1-cyclopropyl-2-[(1S)-1-hydroxyethyl]benzimidazole-5-carbonitrile
CID 66263871
5-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)piperidin-2-one
CID 115322412
5-(2-amino-6-bromobenzimidazol-1-yl)piperidin-2-one
CID 65345156
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one?
The IUPAC name of 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one (CID 63662334) is 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one.
What is the SMILES notation for 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one?
The canonical SMILES for 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one is CC(O)c1nc2cc(N)ccc2n1C1CCC(=O)NC1.
What is the InChIKey of 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one?
The InChIKey is XCVGPRVNAWVSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8(19)14-17-11-6-9(15)2-4-12(11)18(14)10-3-5-13(20)16-7-10/h2,4,6,8,10,19H,3,5,7,15H2,1H3,(H,16,20).
What are the key properties of 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one?
5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one is sourced from PubChem (CID 63662334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).