1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole

C12H13N3O2 — CID 6832037

IUPAC1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole
SMILESCOc1ccccc1N1C=CN(C)C1=CN=O
InChIInChI=1S/C12H13N3O2/c1-14-7-8-15(12(14)9-13-16)10-5-3-4-6-11(10)17-2/h3-9H,1-2H3
InChIKeyHMKYQGKJWXBJRT-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.48
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole

1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole (PubChem CID 6832037) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole
PubChem CID6832037
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole
SMILESCOc1ccccc1N1C=CN(C)C1=CN=O
InChIInChI=1S/C12H13N3O2/c1-14-7-8-15(12(14)9-13-16)10-5-3-4-6-11(10)17-2/h3-9H,1-2H3
InChIKeyHMKYQGKJWXBJRT-UHFFFAOYSA-N
XLogP2.48
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole?
The IUPAC name of 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole (CID 6832037) is 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole?
The canonical SMILES for 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole is COc1ccccc1N1C=CN(C)C1=CN=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole?
The InChIKey is HMKYQGKJWXBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-7-8-15(12(14)9-13-16)10-5-3-4-6-11(10)17-2/h3-9H,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole?
1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole has a molecular weight of 231.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-methyl-2-(nitrosomethylidene)imidazole is sourced from PubChem (CID 6832037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).