4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile

C10H15N3O — CID 106717490

IUPAC4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cnc(CO)c1
InChIInChI=1S/C10H15N3O/c1-10(2,7-11)3-4-13-5-9(6-14)12-8-13/h5,8,14H,3-4,6H2,1-2H3
InChIKeyPLXSDDYTWJRFSB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.32
Rot. Bonds4

About 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile

4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 106717490) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
PubChem CID106717490
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1cnc(CO)c1
InChIInChI=1S/C10H15N3O/c1-10(2,7-11)3-4-13-5-9(6-14)12-8-13/h5,8,14H,3-4,6H2,1-2H3
InChIKeyPLXSDDYTWJRFSB-UHFFFAOYSA-N
XLogP1.32
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile (CID 106717490) is 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCn1cnc(CO)c1.
What is the InChIKey of 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is PLXSDDYTWJRFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,7-11)3-4-13-5-9(6-14)12-8-13/h5,8,14H,3-4,6H2,1-2H3.
What are the key properties of 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile?
4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 193.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 106717490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).