2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile

C16H20N4 — CID 62223246

IUPAC2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)(C)NCc1nccn1Cc1ccccc1C#N
InChIInChI=1S/C16H20N4/c1-16(2,3)19-11-15-18-8-9-20(15)12-14-7-5-4-6-13(14)10-17/h4-9,19H,11-12H2,1-3H3
InChIKeyFETBBJYAPZAWKM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.69
Rot. Bonds4

About 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile

2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 62223246) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID62223246
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCC(C)(C)NCc1nccn1Cc1ccccc1C#N
InChIInChI=1S/C16H20N4/c1-16(2,3)19-11-15-18-8-9-20(15)12-14-7-5-4-6-13(14)10-17/h4-9,19H,11-12H2,1-3H3
InChIKeyFETBBJYAPZAWKM-UHFFFAOYSA-N
XLogP2.69
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile 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-[[2-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221269
N-[[1-[(2-bromophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221302
2-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561566
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
2-[[2-(2-aminopropyl)imidazol-1-yl]methyl]benzonitrile
CID 63096527
2-[[2-[[4-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561546
2-[[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561434
2-[[2-[2-(4-methoxyphenyl)ethyl]imidazol-1-yl]methyl]benzonitrile
CID 82561426
2-fluoro-3-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 107119125
N-[[1-[(2,6-difluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114930890
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile (CID 62223246) is 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile is CC(C)(C)NCc1nccn1Cc1ccccc1C#N.
What is the InChIKey of 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is FETBBJYAPZAWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-16(2,3)19-11-15-18-8-9-20(15)12-14-7-5-4-6-13(14)10-17/h4-9,19H,11-12H2,1-3H3.
What are the key properties of 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile?
2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(tert-butylamino)methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 62223246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).