3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile

C15H18N4O — CID 106718872

IUPAC3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile
SMILESCCNCc1cn(Cc2cc(C#N)ccc2OC)cn1
InChIInChI=1S/C15H18N4O/c1-3-17-8-14-10-19(11-18-14)9-13-6-12(7-16)4-5-15(13)20-2/h4-6,10-11,17H,3,8-9H2,1-2H3
InChIKeyBJJYIUIJECHHLR-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.92
Rot. Bonds6

About 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile

3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile (PubChem CID 106718872) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile.

Molecular Properties

Compound Name3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile
PubChem CID106718872
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile
SMILESCCNCc1cn(Cc2cc(C#N)ccc2OC)cn1
InChIInChI=1S/C15H18N4O/c1-3-17-8-14-10-19(11-18-14)9-13-6-12(7-16)4-5-15(13)20-2/h4-6,10-11,17H,3,8-9H2,1-2H3
InChIKeyBJJYIUIJECHHLR-UHFFFAOYSA-N
XLogP1.92
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-fluorobenzonitrile
CID 106718650
3-chloro-4-[[4-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720186
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
3-[[4-(propylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 106719183
4-[[4-(hydroxymethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106717623
2-[[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720568
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106718575
1-[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 106718473
4-[[4-(chloromethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106720819
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863
2-[1-[(2,5-dimethoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 95467377
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720587

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile?
The IUPAC name of 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile (CID 106718872) is 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile.
What is the SMILES notation for 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile?
The canonical SMILES for 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile is CCNCc1cn(Cc2cc(C#N)ccc2OC)cn1.
What is the InChIKey of 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile?
The InChIKey is BJJYIUIJECHHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-17-8-14-10-19(11-18-14)9-13-6-12(7-16)4-5-15(13)20-2/h4-6,10-11,17H,3,8-9H2,1-2H3.
What are the key properties of 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile?
3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]-4-methoxybenzonitrile is sourced from PubChem (CID 106718872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).