2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile

C11H10N4 — CID 82561469

IUPAC2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1Cc1ccccn1
InChIInChI=1S/C11H10N4/c12-4-7-15-8-6-14-11(15)9-10-3-1-2-5-13-10/h1-3,5-6,8H,7,9H2
InChIKeyYSYSCVNXVUCXSY-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.39
Rot. Bonds3

About 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile

2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile (PubChem CID 82561469) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
PubChem CID82561469
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile
SMILESN#CCn1ccnc1Cc1ccccn1
InChIInChI=1S/C11H10N4/c12-4-7-15-8-6-14-11(15)9-10-3-1-2-5-13-10/h1-3,5-6,8H,7,9H2
InChIKeyYSYSCVNXVUCXSY-UHFFFAOYSA-N
XLogP1.39
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetic acid
CID 82560133
2-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]pyridine
CID 82561910
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
CID 82561718
2-(2-tert-butylimidazol-1-yl)acetonitrile
CID 82561565
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
2-(1-benzylimidazol-2-yl)acetonitrile;ethane
CID 144979693
1-(pyridin-2-ylmethyl)imidazole-4,5-dicarbonitrile
CID 112595443
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685716
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
1-(1-ethylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977321
2-(3-methyl-2-oxopyrazin-1-yl)acetonitrile
CID 130571123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile (CID 82561469) is 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile is N#CCn1ccnc1Cc1ccccn1.
What is the InChIKey of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile?
The InChIKey is YSYSCVNXVUCXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c12-4-7-15-8-6-14-11(15)9-10-3-1-2-5-13-10/h1-3,5-6,8H,7,9H2.
What are the key properties of 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile?
2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile has a molecular weight of 198.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-2-ylmethyl)imidazol-1-yl]acetonitrile is sourced from PubChem (CID 82561469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).