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

C15H18N4O — CID 107470112

IUPAC3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
SMILESCNC(C)(C)c1cncn1-c1c(C#N)cccc1OC
InChIInChI=1S/C15H18N4O/c1-15(2,17-3)13-9-18-10-19(13)14-11(8-16)6-5-7-12(14)20-4/h5-7,9-10,17H,1-4H3
InChIKeyQULCTUTXACMGPX-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.21
Rot. Bonds4

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

3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile (PubChem CID 107470112) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
PubChem CID107470112
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
SMILESCNC(C)(C)c1cncn1-c1c(C#N)cccc1OC
InChIInChI=1S/C15H18N4O/c1-15(2,17-3)13-9-18-10-19(13)14-11(8-16)6-5-7-12(14)20-4/h5-7,9-10,17H,1-4H3
InChIKeyQULCTUTXACMGPX-UHFFFAOYSA-N
XLogP2.21
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(1R)-1-aminoethyl]imidazol-1-yl]-3-methoxybenzonitrile
CID 107470126
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
3-methoxy-2-(5-morpholin-2-ylimidazol-1-yl)benzonitrile
CID 107470107
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
3-methoxy-2-[1-(1-methylpyrazol-4-yl)ethylamino]benzonitrile
CID 107466706
2-ethyl-3-methoxybenzonitrile
CID 91882343
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180
2-(3-amino-9-azabicyclo[3.3.1]nonan-9-yl)-3-methoxybenzonitrile
CID 107469879
2-[(2-methoxyphenyl)methyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720782
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The IUPAC name of 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile (CID 107470112) is 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile.
What is the SMILES notation for 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The canonical SMILES for 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile is CNC(C)(C)c1cncn1-c1c(C#N)cccc1OC.
What is the InChIKey of 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
The InChIKey is QULCTUTXACMGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,17-3)13-9-18-10-19(13)14-11(8-16)6-5-7-12(14)20-4/h5-7,9-10,17H,1-4H3.
What are the key properties of 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile?
3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile is sourced from PubChem (CID 107470112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).