4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine

C12H14N4O3 — CID 3025471

IUPAC4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc2ncn(CN3CCOCC3)c2c1
InChIInChI=1S/C12H14N4O3/c17-16(18)10-1-2-11-12(7-10)15(8-13-11)9-14-3-5-19-6-4-14/h1-2,7-8H,3-6,9H2
InChIKeyMBHRPBKYNWXXIC-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.23
Rot. Bonds3

About 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine

4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine (PubChem CID 3025471) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine
PubChem CID3025471
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc2ncn(CN3CCOCC3)c2c1
InChIInChI=1S/C12H14N4O3/c17-16(18)10-1-2-11-12(7-10)15(8-13-11)9-14-3-5-19-6-4-14/h1-2,7-8H,3-6,9H2
InChIKeyMBHRPBKYNWXXIC-UHFFFAOYSA-N
XLogP1.23
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-nitrobenzimidazol-1-yl)ethyl]morpholin-4-ium chloride
CID 139067332
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
N'-hydroxy-3-(6-nitrobenzimidazol-1-yl)propanimidamide
CID 91622335
1-hydroxy-6-nitrobenzimidazole;hydrochloride
CID 14062559
N-[(6-nitrobenzimidazol-1-yl)methyl]-N-octyloctan-1-amine
CID 134294693
3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]benzimidazol-5-amine;1-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-6-nitrobenzimidazole
CID 67856456
1-(morpholin-4-ylmethyl)-5-nitroindole-2,3-dione
CID 2828271
(6-nitrobenzimidazol-1-yl) thiohypofluorite
CID 170769369
N-[2-(6-nitrobenzimidazol-1-yl)ethylcarbamoyl]propanamide
CID 3050480
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 170869990
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224

Frequently Asked Questions

What is the IUPAC name of 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine (CID 3025471) is 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine is O=[N+]([O-])c1ccc2ncn(CN3CCOCC3)c2c1.
What is the InChIKey of 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine?
The InChIKey is MBHRPBKYNWXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-16(18)10-1-2-11-12(7-10)15(8-13-11)9-14-3-5-19-6-4-14/h1-2,7-8H,3-6,9H2.
What are the key properties of 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine?
4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine has a molecular weight of 262.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-nitrobenzimidazol-1-yl)methyl]morpholine is sourced from PubChem (CID 3025471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).