2-(2-methyl-1H-imidazol-5-yl)acetonitrile

C6H7N3 — CID 22359359

IUPAC2-(2-methyl-1H-imidazol-5-yl)acetonitrile
SMILESCc1ncc(CC#N)[nH]1
InChIInChI=1S/C6H7N3/c1-5-8-4-6(9-5)2-3-7/h4H,2H2,1H3,(H,8,9)
InChIKeyACMGYAIDSNGFQX-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.78
Rot. Bonds1

About 2-(2-methyl-1H-imidazol-5-yl)acetonitrile

2-(2-methyl-1H-imidazol-5-yl)acetonitrile (PubChem CID 22359359) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(2-methyl-1H-imidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-methyl-1H-imidazol-5-yl)acetonitrile
PubChem CID22359359
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name2-(2-methyl-1H-imidazol-5-yl)acetonitrile
SMILESCc1ncc(CC#N)[nH]1
InChIInChI=1S/C6H7N3/c1-5-8-4-6(9-5)2-3-7/h4H,2H2,1H3,(H,8,9)
InChIKeyACMGYAIDSNGFQX-UHFFFAOYSA-N
XLogP0.78
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-methyl-1H-imidazol-5-yl)acetonitrile (CID 22359359) is 2-(2-methyl-1H-imidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-methyl-1H-imidazol-5-yl)acetonitrile is Cc1ncc(CC#N)[nH]1.
What is the InChIKey of 2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The InChIKey is ACMGYAIDSNGFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-5-8-4-6(9-5)2-3-7/h4H,2H2,1H3,(H,8,9).
What are the key properties of 2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
2-(2-methyl-1H-imidazol-5-yl)acetonitrile has a molecular weight of 121.14 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-imidazol-5-yl)acetonitrile is sourced from PubChem (CID 22359359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).