3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile

C16H13N5 — CID 114719737

IUPAC3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cncc2-c2cccnc2N)c1
InChIInChI=1S/C16H13N5/c17-8-12-3-1-4-13(7-12)10-21-11-19-9-15(21)14-5-2-6-20-16(14)18/h1-7,9,11H,10H2,(H2,18,20)
InChIKeyVMTBTWJDBYKLKI-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.45
Rot. Bonds3

About 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile

3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile (PubChem CID 114719737) has the molecular formula C16H13N5 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile
PubChem CID114719737
Molecular FormulaC16H13N5
Molecular Weight275.32 g/mol
Exact Mass275.12
IUPAC Name3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(Cn2cncc2-c2cccnc2N)c1
InChIInChI=1S/C16H13N5/c17-8-12-3-1-4-13(7-12)10-21-11-19-9-15(21)14-5-2-6-20-16(14)18/h1-7,9,11H,10H2,(H2,18,20)
InChIKeyVMTBTWJDBYKLKI-UHFFFAOYSA-N
XLogP2.45
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 107810756
3-[3-[(5-methylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114719802
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106410293
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841
1-[(3-cyanophenyl)methyl]imidazole-4,5-dicarbonitrile
CID 112595123
3-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561567
3-[3-(5-methylhexyl)imidazol-4-yl]pyridin-2-amine
CID 114721527
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile (CID 114719737) is 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile is N#Cc1cccc(Cn2cncc2-c2cccnc2N)c1.
What is the InChIKey of 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile?
The InChIKey is VMTBTWJDBYKLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5/c17-8-12-3-1-4-13(7-12)10-21-11-19-9-15(21)14-5-2-6-20-16(14)18/h1-7,9,11H,10H2,(H2,18,20).
What are the key properties of 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile?
3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile has a molecular weight of 275.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-amino-3-pyridinyl)imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 114719737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).