4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile

C10H16N4 — CID 63029540

IUPAC4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCn1cnc(C)c1C
InChIInChI=1S/C10H16N4/c1-8-9(2)14(7-13-8)5-4-10(6-11)12-3/h7,10,12H,4-5H2,1-3H3
InChIKeyOMDSKYOEIDOGGV-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.00
Rot. Bonds4

About 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile

4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile (PubChem CID 63029540) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile
PubChem CID63029540
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile
SMILESCNC(C#N)CCn1cnc(C)c1C
InChIInChI=1S/C10H16N4/c1-8-9(2)14(7-13-8)5-4-10(6-11)12-3/h7,10,12H,4-5H2,1-3H3
InChIKeyOMDSKYOEIDOGGV-UHFFFAOYSA-N
XLogP1.00
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(4,5-dimethylimidazol-1-yl)butanenitrile
CID 62350743
3-(4,5-dimethylimidazol-1-yl)propanenitrile
CID 62350561
6-(4,5-dimethylimidazol-1-yl)-N-methylhexan-2-amine
CID 62350906
ethyl 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanoate
CID 63039386
1-(4,5-dimethylimidazol-1-yl)-N-methylpentan-2-amine
CID 62350364
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-3-amine
CID 62566217
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
CID 75531085
1-butyl-4,5-dimethylimidazole
CID 18671206
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentan-2-amine
CID 62566039
4-indazol-1-yl-2-(methylamino)butanenitrile
CID 63027200
1-(3-bromopropyl)-4,5-dimethylimidazole
CID 62352321
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile (CID 63029540) is 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile is CNC(C#N)CCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile?
The InChIKey is OMDSKYOEIDOGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-9(2)14(7-13-8)5-4-10(6-11)12-3/h7,10,12H,4-5H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile?
4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile has a molecular weight of 192.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)butanenitrile is sourced from PubChem (CID 63029540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).