1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one

C16H18N4O — CID 82899574

IUPAC1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
SMILESNCCc1nc2ccccc2n1CCn1ccccc1=O
InChIInChI=1S/C16H18N4O/c17-9-8-15-18-13-5-1-2-6-14(13)20(15)12-11-19-10-4-3-7-16(19)21/h1-7,10H,8-9,11-12,17H2
InChIKeyQJFBKPUTVFHSAA-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.40
Rot. Bonds5

About 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one

1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one (PubChem CID 82899574) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
PubChem CID82899574
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one
SMILESNCCc1nc2ccccc2n1CCn1ccccc1=O
InChIInChI=1S/C16H18N4O/c17-9-8-15-18-13-5-1-2-6-14(13)20(15)12-11-19-10-4-3-7-16(19)21/h1-7,10H,8-9,11-12,17H2
InChIKeyQJFBKPUTVFHSAA-UHFFFAOYSA-N
XLogP1.40
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,3-dimethylbutyl)benzimidazol-2-yl]ethanamine
CID 55244357
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CID 63636171
2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-carbamoylacetamide
CID 63636509
2-[1-(cyclopropylmethyl)benzimidazol-2-yl]ethanamine
CID 63637024
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63637023
10-(1-butylbenzimidazol-2-yl)decan-1-amine
CID 92629122
propan-2-yl 2-[2-(2-aminoethyl)benzimidazol-1-yl]acetate
CID 63637880
2-[1-(2-methylpentyl)benzimidazol-2-yl]ethanamine
CID 55244166
4-amino-1-(1-propylbenzimidazol-2-yl)butan-2-one
CID 116550850
2-[2-[2-(2-aminophenyl)ethyl]benzimidazol-1-yl]ethanol
CID 107272675

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one (CID 82899574) is 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one is NCCc1nc2ccccc2n1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one?
The InChIKey is QJFBKPUTVFHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-9-8-15-18-13-5-1-2-6-14(13)20(15)12-11-19-10-4-3-7-16(19)21/h1-7,10H,8-9,11-12,17H2.
What are the key properties of 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one has a molecular weight of 282.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminoethyl)benzimidazol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82899574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).