5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C12H13N5O2 — CID 106392827

IUPAC5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ncon1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H13N5O2/c1-7(13-5-11-14-6-19-17-11)8-2-3-9-10(4-8)16-12(18)15-9/h2-4,6-7,13H,5H2,1H3,(H2,15,16,18)
InChIKeyCOWUNTQDFBVDDS-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.09
Rot. Bonds4

About 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 106392827) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID106392827
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ncon1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C12H13N5O2/c1-7(13-5-11-14-6-19-17-11)8-2-3-9-10(4-8)16-12(18)15-9/h2-4,6-7,13H,5H2,1H3,(H2,15,16,18)
InChIKeyCOWUNTQDFBVDDS-UHFFFAOYSA-N
XLogP1.09
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(5-methyl-2-pyridinyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 80711965
1-(1,3-benzodioxol-5-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393940
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-[(3-methyltriazol-4-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115682676
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 106392553
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
5-[[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79539168
N-(1,2,4-oxadiazol-3-ylmethyl)-1-thiophen-3-ylethanamine
CID 106393064
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 106392827) is 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCc1ncon1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is COWUNTQDFBVDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7(13-5-11-14-6-19-17-11)8-2-3-9-10(4-8)16-12(18)15-9/h2-4,6-7,13H,5H2,1H3,(H2,15,16,18).
What are the key properties of 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.27 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,2,4-oxadiazol-3-ylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 106392827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).