ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one

C18H23N5O3 — CID 143895025

IUPACethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one
SMILESC=CN.COCc1ccccc1.O=NCCn1c(=O)[nH]c2ccncc21
InChIInChI=1S/C8H8N4O2.C8H10O.C2H5N/c13-8-11-6-1-2-9-5-7(6)12(8)4-3-10-14;1-9-7-8-5-3-2-4-6-8;1-2-3/h1-2,5H,3-4H2,(H,11,13);2-6H,7H2,1H3;2H,1,3H2
InChIKeyOFSNXXKTZBXXMH-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.41
Rot. Bonds5

About ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one

ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 143895025) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Nameethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID143895025
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Nameethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one
SMILESC=CN.COCc1ccccc1.O=NCCn1c(=O)[nH]c2ccncc21
InChIInChI=1S/C8H8N4O2.C8H10O.C2H5N/c13-8-11-6-1-2-9-5-7(6)12(8)4-3-10-14;1-9-7-8-5-3-2-4-6-8;1-2-3/h1-2,5H,3-4H2,(H,11,13);2-6H,7H2,1H3;2H,1,3H2
InChIKeyOFSNXXKTZBXXMH-UHFFFAOYSA-N
XLogP2.41
TPSA115.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one (CID 143895025) is ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one is C=CN.COCc1ccccc1.O=NCCn1c(=O)[nH]c2ccncc21.
What is the InChIKey of ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is OFSNXXKTZBXXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2.C8H10O.C2H5N/c13-8-11-6-1-2-9-5-7(6)12(8)4-3-10-14;1-9-7-8-5-3-2-4-6-8;1-2-3/h1-2,5H,3-4H2,(H,11,13);2-6H,7H2,1H3;2H,1,3H2.
What are the key properties of ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one?
ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 357.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;methoxymethylbenzene;3-(2-nitrosoethyl)-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 143895025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).