5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one

C14H18N4O — CID 63662164

IUPAC5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one
SMILESCCc1nc2cc(N)ccc2n1C1CCC(=O)NC1
InChIInChI=1S/C14H18N4O/c1-2-13-17-11-7-9(15)3-5-12(11)18(13)10-4-6-14(19)16-8-10/h3,5,7,10H,2,4,6,8,15H2,1H3,(H,16,19)
InChIKeyQVKVENJFRGOEKD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds2

About 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one

5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one (PubChem CID 63662164) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one
PubChem CID63662164
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one
SMILESCCc1nc2cc(N)ccc2n1C1CCC(=O)NC1
InChIInChI=1S/C14H18N4O/c1-2-13-17-11-7-9(15)3-5-12(11)18(13)10-4-6-14(19)16-8-10/h3,5,7,10H,2,4,6,8,15H2,1H3,(H,16,19)
InChIKeyQVKVENJFRGOEKD-UHFFFAOYSA-N
XLogP1.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]piperidin-2-one
CID 63662334
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
CID 106186996
5-[2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 63661964
5-[2-(2-chloroethyl)benzimidazol-1-yl]piperidin-2-one
CID 63660901
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442
1-(2,2-dimethylcyclopentyl)-2-ethylbenzimidazol-5-amine
CID 79878884
5-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]piperidin-2-one
CID 65346341
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-cyclopentyl-2-(2,2-dimethylpropyl)benzimidazol-5-amine
CID 96668227
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one?
The IUPAC name of 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one (CID 63662164) is 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one.
What is the SMILES notation for 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one?
The canonical SMILES for 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one is CCc1nc2cc(N)ccc2n1C1CCC(=O)NC1.
What is the InChIKey of 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one?
The InChIKey is QVKVENJFRGOEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-13-17-11-7-9(15)3-5-12(11)18(13)10-4-6-14(19)16-8-10/h3,5,7,10H,2,4,6,8,15H2,1H3,(H,16,19).
What are the key properties of 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one?
5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-ethylbenzimidazol-1-yl)piperidin-2-one is sourced from PubChem (CID 63662164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).