5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile

C14H16N4 — CID 114063829

IUPAC5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile
SMILESCCNCc1ccc(-n2ccnc2C)c(C#N)c1
InChIInChI=1S/C14H16N4/c1-3-16-10-12-4-5-14(13(8-12)9-15)18-7-6-17-11(18)2/h4-8,16H,3,10H2,1-2H3
InChIKeyDJRNQXUKFPMCGI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.16
Rot. Bonds4

About 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile

5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile (PubChem CID 114063829) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile
PubChem CID114063829
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile
SMILESCCNCc1ccc(-n2ccnc2C)c(C#N)c1
InChIInChI=1S/C14H16N4/c1-3-16-10-12-4-5-14(13(8-12)9-15)18-7-6-17-11(18)2/h4-8,16H,3,10H2,1-2H3
InChIKeyDJRNQXUKFPMCGI-UHFFFAOYSA-N
XLogP2.16
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-methyl-4-(2-methylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 55146656
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
2-(4-chloropyrazol-1-yl)-5-(ethylaminomethyl)benzonitrile
CID 114063830
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 55133745
2-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]acetonitrile
CID 84795090
1-[1-(4-cyanophenyl)ethyl]-3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47768484
5-(ethylaminomethyl)-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 114063963
1-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-(2-hydroxypentyl)urea
CID 111338279
4-fluoro-N-[2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 47933313
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
3-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylbutanamide
CID 120503327
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile?
The IUPAC name of 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile (CID 114063829) is 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile.
What is the SMILES notation for 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile?
The canonical SMILES for 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile is CCNCc1ccc(-n2ccnc2C)c(C#N)c1.
What is the InChIKey of 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile?
The InChIKey is DJRNQXUKFPMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-16-10-12-4-5-14(13(8-12)9-15)18-7-6-17-11(18)2/h4-8,16H,3,10H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile?
5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-2-(2-methylimidazol-1-yl)benzonitrile is sourced from PubChem (CID 114063829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).