2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile

C14H15N3 — CID 116880034

IUPAC2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1cc(C)c(-c2cnc(CC#N)[nH]2)cc1C
InChIInChI=1S/C14H15N3/c1-9-6-11(3)12(7-10(9)2)13-8-16-14(17-13)4-5-15/h6-8H,4H2,1-3H3,(H,16,17)
InChIKeyFGKKVMCUXWHCJF-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.07
Rot. Bonds2

About 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile

2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile (PubChem CID 116880034) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
PubChem CID116880034
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile
SMILESCc1cc(C)c(-c2cnc(CC#N)[nH]2)cc1C
InChIInChI=1S/C14H15N3/c1-9-6-11(3)12(7-10(9)2)13-8-16-14(17-13)4-5-15/h6-8H,4H2,1-3H3,(H,16,17)
InChIKeyFGKKVMCUXWHCJF-UHFFFAOYSA-N
XLogP3.07
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile?
The IUPAC name of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile (CID 116880034) is 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile is Cc1cc(C)c(-c2cnc(CC#N)[nH]2)cc1C.
What is the InChIKey of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile?
The InChIKey is FGKKVMCUXWHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-9-6-11(3)12(7-10(9)2)13-8-16-14(17-13)4-5-15/h6-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile?
2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile has a molecular weight of 225.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]acetonitrile is sourced from PubChem (CID 116880034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).