2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile

C14H15FN4 — CID 62955984

IUPAC2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
SMILESCCCn1ccnc1CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H15FN4/c1-2-6-19-7-5-17-14(19)10-18-12-3-4-13(15)11(8-12)9-16/h3-5,7-8,18H,2,6,10H2,1H3
InChIKeyYGDJSXOMCALYND-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.92
Rot. Bonds5

About 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile

2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile (PubChem CID 62955984) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
PubChem CID62955984
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
SMILESCCCn1ccnc1CNc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H15FN4/c1-2-6-19-7-5-17-14(19)10-18-12-3-4-13(15)11(8-12)9-16/h3-5,7-8,18H,2,6,10H2,1H3
InChIKeyYGDJSXOMCALYND-UHFFFAOYSA-N
XLogP2.92
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
5-nitro-2-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62956850
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
5-[(1-ethylpyrrol-3-yl)methylamino]-2-fluorobenzonitrile
CID 66416360

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile (CID 62955984) is 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile is CCCn1ccnc1CNc1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile?
The InChIKey is YGDJSXOMCALYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-2-6-19-7-5-17-14(19)10-18-12-3-4-13(15)11(8-12)9-16/h3-5,7-8,18H,2,6,10H2,1H3.
What are the key properties of 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile?
2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile has a molecular weight of 258.30 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile is sourced from PubChem (CID 62955984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).