1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile

C11H7N5 — CID 112595443

IUPAC1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccccn2)c1C#N
InChIInChI=1S/C11H7N5/c12-5-10-11(6-13)16(8-15-10)7-9-3-1-2-4-14-9/h1-4,8H,7H2
InChIKeyQATPNZWKEMKWCT-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.07
Rot. Bonds2

About 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile

1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595443) has the molecular formula C11H7N5 and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
PubChem CID112595443
Molecular FormulaC11H7N5
Molecular Weight209.21 g/mol
Exact Mass209.07
IUPAC Name1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(Cc2ccccn2)c1C#N
InChIInChI=1S/C11H7N5/c12-5-10-11(6-13)16(8-15-10)7-9-3-1-2-4-14-9/h1-4,8H,7H2
InChIKeyQATPNZWKEMKWCT-UHFFFAOYSA-N
XLogP1.07
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-thiazol-4-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595584
6-[(4,5-dicyanoimidazol-1-yl)methyl]pyridine-3-carboxylic acid
CID 112594979
1-[(3-cyanophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595123
1-(pyridin-2-ylmethyl)-1,2,4-triazole-3-carbonitrile
CID 60709671
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-[(2-chloroquinolin-3-yl)methyl]imidazole-4,5-dicarbonitrile
CID 115944692
1-[(5-bromofuran-2-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595727
1-[(2,5-dimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595464
1-[(2,4,6-trimethylphenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595657
3-[(4,5-dicyanoimidazol-1-yl)methyl]benzoic acid
CID 112595010
1-[(3-amino-5-bromophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 103350197
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]imidazole-4,5-dicarbonitrile
CID 112595742

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile (CID 112595443) is 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(Cc2ccccn2)c1C#N.
What is the InChIKey of 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile?
The InChIKey is QATPNZWKEMKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5/c12-5-10-11(6-13)16(8-15-10)7-9-3-1-2-4-14-9/h1-4,8H,7H2.
What are the key properties of 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile?
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile has a molecular weight of 209.21 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).