4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile

C15H15N5 — CID 107795786

IUPAC4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
SMILESCNC(C)(C)c1cncn1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H15N5/c1-15(2,18-3)14-9-19-10-20(14)13-5-4-11(7-16)12(6-13)8-17/h4-6,9-10,18H,1-3H3
InChIKeyAEGIDOOHHUGBFO-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.07
Rot. Bonds3

About 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile

4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile (PubChem CID 107795786) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
PubChem CID107795786
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
SMILESCNC(C)(C)c1cncn1-c1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H15N5/c1-15(2,18-3)14-9-19-10-20(14)13-5-4-11(7-16)12(6-13)8-17/h4-6,9-10,18H,1-3H3
InChIKeyAEGIDOOHHUGBFO-UHFFFAOYSA-N
XLogP2.07
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile (CID 107795786) is 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile is CNC(C)(C)c1cncn1-c1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile?
The InChIKey is AEGIDOOHHUGBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-15(2,18-3)14-9-19-10-20(14)13-5-4-11(7-16)12(6-13)8-17/h4-6,9-10,18H,1-3H3.
What are the key properties of 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile?
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107795786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).