2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile

C17H22N4 — CID 84743522

IUPAC2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1c(C)nc(-c2ccccc2)n1C
InChIInChI=1S/C17H22N4/c1-5-21(6-2)15(12-18)16-13(3)19-17(20(16)4)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3
InChIKeyHKLBDSIAFFKDSW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds5

About 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile

2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile (PubChem CID 84743522) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
PubChem CID84743522
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile
SMILESCCN(CC)C(C#N)c1c(C)nc(-c2ccccc2)n1C
InChIInChI=1S/C17H22N4/c1-5-21(6-2)15(12-18)16-13(3)19-17(20(16)4)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3
InChIKeyHKLBDSIAFFKDSW-UHFFFAOYSA-N
XLogP3.30
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile 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

2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-2-(diethylamino)acetonitrile
CID 84743724
2-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-2-(diethylamino)acetic acid
CID 84744703
2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
CID 84739885
2-(dipropylamino)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetonitrile
CID 84756914
2-(diethylamino)-2-(1,2,5-trimethylimidazol-4-yl)acetonitrile
CID 84740330
2-(3,5-dimethyl-2-phenylimidazol-4-yl)-2-pyrrolidin-1-ylethanamine
CID 84743590
2-(5-bromo-3-methyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84745697
1-(5-chloro-3-methyl-2-phenylimidazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 84743375
2-(1,5-dimethyl-2-phenylimidazol-4-yl)-2-(4-ethylpiperazin-1-yl)acetonitrile
CID 84744768
2-(5-bromo-4-methyl-2-phenylimidazol-1-yl)propanenitrile
CID 101322754
3-(5-bromo-4-methyl-2-phenylimidazol-1-yl)propanenitrile
CID 101322755
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 11264160

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile (CID 84743522) is 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile is CCN(CC)C(C#N)c1c(C)nc(-c2ccccc2)n1C.
What is the InChIKey of 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile?
The InChIKey is HKLBDSIAFFKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-5-21(6-2)15(12-18)16-13(3)19-17(20(16)4)14-10-8-7-9-11-14/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile?
2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(3,5-dimethyl-2-phenylimidazol-4-yl)acetonitrile is sourced from PubChem (CID 84743522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).