2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile

C8H11ClN4 — CID 84739711

IUPAC2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile
SMILESCc1nc(Cl)c(C(C#N)N(C)C)[nH]1
InChIInChI=1S/C8H11ClN4/c1-5-11-7(8(9)12-5)6(4-10)13(2)3/h6H,1-3H3,(H,11,12)
InChIKeyOUPANXJBUFWONI-UHFFFAOYSA-N
MW198.66 g/mol
LogP1.50
Rot. Bonds2

About 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile

2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile (PubChem CID 84739711) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile
PubChem CID84739711
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile
SMILESCc1nc(Cl)c(C(C#N)N(C)C)[nH]1
InChIInChI=1S/C8H11ClN4/c1-5-11-7(8(9)12-5)6(4-10)13(2)3/h6H,1-3H3,(H,11,12)
InChIKeyOUPANXJBUFWONI-UHFFFAOYSA-N
XLogP1.50
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile (CID 84739711) is 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile is Cc1nc(Cl)c(C(C#N)N(C)C)[nH]1.
What is the InChIKey of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile?
The InChIKey is OUPANXJBUFWONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c1-5-11-7(8(9)12-5)6(4-10)13(2)3/h6H,1-3H3,(H,11,12).
What are the key properties of 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile?
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile has a molecular weight of 198.66 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 84739711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).