4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile

C15H15N5 — CID 107788244

IUPAC4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
SMILESCCCn1ccnc1CNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H15N5/c1-2-6-20-7-5-18-15(20)11-19-14-4-3-12(9-16)13(8-14)10-17/h3-5,7-8,19H,2,6,11H2,1H3
InChIKeyXCVCMMKNKGXJOM-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.65
Rot. Bonds5

About 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile

4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile (PubChem CID 107788244) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
PubChem CID107788244
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
SMILESCCCn1ccnc1CNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H15N5/c1-2-6-20-7-5-18-15(20)11-19-14-4-3-12(9-16)13(8-14)10-17/h3-5,7-8,19H,2,6,11H2,1H3
InChIKeyXCVCMMKNKGXJOM-UHFFFAOYSA-N
XLogP2.65
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62955984
2-chloro-5-[(1-ethylimidazol-2-yl)methylamino]benzonitrile
CID 62357250
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275
5-nitro-2-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62956850
2-fluoro-5-[(1-methylimidazol-2-yl)methylamino]benzonitrile
CID 55058112
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
4-[(5-chloro-1-methylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107789172
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107789410

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile (CID 107788244) is 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile is CCCn1ccnc1CNc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile?
The InChIKey is XCVCMMKNKGXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-6-20-7-5-18-15(20)11-19-14-4-3-12(9-16)13(8-14)10-17/h3-5,7-8,19H,2,6,11H2,1H3.
What are the key properties of 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile?
4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107788244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).