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

C10H16N4 — CID 84739660

IUPAC2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cnc(C)[nH]1
InChIInChI=1S/C10H16N4/c1-4-14(5-2)10(6-11)9-7-12-8(3)13-9/h7,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyLEWVSXYHKBARGT-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.62
Rot. Bonds4

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

2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile (PubChem CID 84739660) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile
PubChem CID84739660
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1cnc(C)[nH]1
InChIInChI=1S/C10H16N4/c1-4-14(5-2)10(6-11)9-7-12-8(3)13-9/h7,10H,4-5H2,1-3H3,(H,12,13)
InChIKeyLEWVSXYHKBARGT-UHFFFAOYSA-N
XLogP1.62
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile (CID 84739660) is 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile is CCN(CC)C(C#N)c1cnc(C)[nH]1.
What is the InChIKey of 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
The InChIKey is LEWVSXYHKBARGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-14(5-2)10(6-11)9-7-12-8(3)13-9/h7,10H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile?
2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile has a molecular weight of 192.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile is sourced from PubChem (CID 84739660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).