2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile

C15H18N4O — CID 65344219

IUPAC2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCOc1ccc(CN(C)Cc2nccn2C)cc1C#N
InChIInChI=1S/C15H18N4O/c1-18(11-15-17-6-7-19(15)2)10-12-4-5-14(20-3)13(8-12)9-16/h4-8H,10-11H2,1-3H3
InChIKeyLFHLNVAAMVHIPZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.93
Rot. Bonds5

About 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile

2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (PubChem CID 65344219) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
PubChem CID65344219
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
SMILESCOc1ccc(CN(C)Cc2nccn2C)cc1C#N
InChIInChI=1S/C15H18N4O/c1-18(11-15-17-6-7-19(15)2)10-12-4-5-14(20-3)13(8-12)9-16/h4-8H,10-11H2,1-3H3
InChIKeyLFHLNVAAMVHIPZ-UHFFFAOYSA-N
XLogP1.93
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzonitrile
CID 65341146
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696115
5-[[(2-aminophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65339662
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxybenzonitrile
CID 65344353
[4-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63888079
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
1-(2-methoxynaphthalen-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 75451786
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
2-methoxy-5-[(2-thiophen-2-ylimidazol-1-yl)methyl]benzonitrile
CID 65344033

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile (CID 65344219) is 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is COc1ccc(CN(C)Cc2nccn2C)cc1C#N.
What is the InChIKey of 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
The InChIKey is LFHLNVAAMVHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18(11-15-17-6-7-19(15)2)10-12-4-5-14(20-3)13(8-12)9-16/h4-8H,10-11H2,1-3H3.
What are the key properties of 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile?
2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 65344219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).