4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile

C15H18N4 — CID 114708243

IUPAC4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
SMILESCNC(C)(C)c1cncn1-c1cc(C#N)ccc1C
InChIInChI=1S/C15H18N4/c1-11-5-6-12(8-16)7-13(11)19-10-18-9-14(19)15(2,3)17-4/h5-7,9-10,17H,1-4H3
InChIKeyLQCNNBOJPJWMRI-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.51
Rot. Bonds3

About 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile

4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile (PubChem CID 114708243) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
PubChem CID114708243
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
SMILESCNC(C)(C)c1cncn1-c1cc(C#N)ccc1C
InChIInChI=1S/C15H18N4/c1-11-5-6-12(8-16)7-13(11)19-10-18-9-14(19)15(2,3)17-4/h5-7,9-10,17H,1-4H3
InChIKeyLQCNNBOJPJWMRI-UHFFFAOYSA-N
XLogP2.51
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-(5-bromo-4-fluoro-2-methylphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107590634
4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
CID 178051646
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-4-methylbenzonitrile
CID 114719865
3-(benzotriazol-2-yl)-4-methylbenzonitrile
CID 142154128
methyl 5-amino-1-(5-cyano-2-methylphenyl)imidazole-4-carboxylate
CID 103545288
3-(2,5-dihydropyrrol-1-yl)-4-methylbenzonitrile
CID 79686863
2-[3-[1-(3-fluoro-4-methylphenyl)ethyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708364
4-methyl-3-(4-methylpiperidin-1-yl)benzonitrile
CID 79686652
3-(2,5-dioxopyrrolidin-1-yl)-4-methylbenzonitrile
CID 55211446
3-(2-methylphenyl)imidazole-4-carbonitrile
CID 84659049

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The IUPAC name of 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile (CID 114708243) is 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile.
What is the SMILES notation for 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The canonical SMILES for 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile is CNC(C)(C)c1cncn1-c1cc(C#N)ccc1C.
What is the InChIKey of 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The InChIKey is LQCNNBOJPJWMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-5-6-12(8-16)7-13(11)19-10-18-9-14(19)15(2,3)17-4/h5-7,9-10,17H,1-4H3.
What are the key properties of 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile is sourced from PubChem (CID 114708243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).