1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide

C10H12IN3O — CID 138398585

IUPAC1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide
SMILESCN1C(=CN=O)N(C)c2ccccc21.I
InChIInChI=1S/C10H11N3O.HI/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14;/h3-7H,1-2H3;1H
InChIKeyOBORQKQMYSJYOQ-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.76
Rot. Bonds1

About 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide

1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide (PubChem CID 138398585) has the molecular formula C10H12IN3O and a molecular weight of 317.13 g/mol. Its IUPAC name is 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide.

Molecular Properties

Compound Name1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide
PubChem CID138398585
Molecular FormulaC10H12IN3O
Molecular Weight317.13 g/mol
Exact Mass317.00
IUPAC Name1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide
SMILESCN1C(=CN=O)N(C)c2ccccc21.I
InChIInChI=1S/C10H11N3O.HI/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14;/h3-7H,1-2H3;1H
InChIKeyOBORQKQMYSJYOQ-UHFFFAOYSA-N
XLogP2.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole
CID 6832037
1,3,3-trimethyl-2-(nitrosomethylidene)indole
CID 4625557
acetic acid;(1,3-dimethylbenzimidazol-2-ylidene)methyl-(3-methyl-2H-1,3-benzothiazol-2-yl)diazene
CID 170840967
4-[2-(1,3-dimethylbenzimidazol-2-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CID 101346222
(2E)-1-hydroxy-2-(nitrosomethylidene)quinoline
CID 23257629
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
(1,3-dimethylbenzimidazol-2-ylidene)methyl-ethenyl-[ethenyl(dimethyl)silyl]oxy-methylsilane
CID 89284544
2-[(E)-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)prop-2-enylidene]-1,3-dimethylbenzimidazole
CID 14496513
2-[3-(1,3-dimethylbenzimidazol-2-ylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium
CID 59034857
2-ethenyl-5,10-dimethylphenazine
CID 22055360
1,3,3,4-tetramethylquinoxalin-2-one
CID 121015533
4-methyl-3-oxo-2H-quinoxaline-1-carbonitrile
CID 117030793

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide?
The IUPAC name of 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide (CID 138398585) is 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide.
What is the SMILES notation for 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide?
The canonical SMILES for 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide is CN1C(=CN=O)N(C)c2ccccc21.I.
What is the InChIKey of 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide?
The InChIKey is OBORQKQMYSJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.HI/c1-12-8-5-3-4-6-9(8)13(2)10(12)7-11-14;/h3-7H,1-2H3;1H.
What are the key properties of 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide?
1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide has a molecular weight of 317.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(nitrosomethylidene)benzimidazole;hydroiodide is sourced from PubChem (CID 138398585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).