2,4-dimethoxyimidazole-1-carbonitrile

C6H7N3O2 — CID 45088365

IUPAC2,4-dimethoxyimidazole-1-carbonitrile
SMILESCOc1cn(C#N)c(OC)n1
InChIInChI=1S/C6H7N3O2/c1-10-5-3-9(4-7)6(8-5)11-2/h3H,1-2H3
InChIKeyMNDQSVOISGQHFK-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.23
Rot. Bonds2

About 2,4-dimethoxyimidazole-1-carbonitrile

2,4-dimethoxyimidazole-1-carbonitrile (PubChem CID 45088365) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2,4-dimethoxyimidazole-1-carbonitrile.

Molecular Properties

Compound Name2,4-dimethoxyimidazole-1-carbonitrile
PubChem CID45088365
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name2,4-dimethoxyimidazole-1-carbonitrile
SMILESCOc1cn(C#N)c(OC)n1
InChIInChI=1S/C6H7N3O2/c1-10-5-3-9(4-7)6(8-5)11-2/h3H,1-2H3
InChIKeyMNDQSVOISGQHFK-UHFFFAOYSA-N
XLogP0.23
TPSA60.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxyimidazole-1-carbonitrile?
The IUPAC name of 2,4-dimethoxyimidazole-1-carbonitrile (CID 45088365) is 2,4-dimethoxyimidazole-1-carbonitrile.
What is the SMILES notation for 2,4-dimethoxyimidazole-1-carbonitrile?
The canonical SMILES for 2,4-dimethoxyimidazole-1-carbonitrile is COc1cn(C#N)c(OC)n1.
What is the InChIKey of 2,4-dimethoxyimidazole-1-carbonitrile?
The InChIKey is MNDQSVOISGQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-10-5-3-9(4-7)6(8-5)11-2/h3H,1-2H3.
What are the key properties of 2,4-dimethoxyimidazole-1-carbonitrile?
2,4-dimethoxyimidazole-1-carbonitrile has a molecular weight of 153.14 g/mol, XLogP of 0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyimidazole-1-carbonitrile is sourced from PubChem (CID 45088365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).