(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

C17H12N4O2 — CID 75524577

IUPAC(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESN#Cc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1
InChIInChI=1S/C17H12N4O2/c18-10-13-1-3-14(4-2-13)11-23-17(22)15-5-6-20-16(9-15)21-8-7-19-12-21/h1-9,12H,11H2
InChIKeyGUDODANBMBIMGM-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.50
Rot. Bonds4

About (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (PubChem CID 75524577) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
PubChem CID75524577
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESN#Cc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1
InChIInChI=1S/C17H12N4O2/c18-10-13-1-3-14(4-2-13)11-23-17(22)15-5-6-20-16(9-15)21-8-7-19-12-21/h1-9,12H,11H2
InChIKeyGUDODANBMBIMGM-UHFFFAOYSA-N
XLogP2.50
TPSA80.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 86798893
2-bromoprop-2-enyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 99824160
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75523078
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
(4-cyanophenyl)methyl 4-hydroxybenzoate
CID 2465166
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042
(4-cyanophenyl)methyl 4-(hydroxymethyl)benzoate
CID 2637507
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75524587
(4-cyanophenyl)methyl 3-amino-4-methylbenzoate
CID 60665494
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
(2-imidazol-1-yl-4-pyridinyl)methyl 3-(trifluoromethyl)pyridine-2-carboxylate
CID 86789985

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The IUPAC name of (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (CID 75524577) is (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.
What is the SMILES notation for (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The canonical SMILES for (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is N#Cc1ccc(COC(=O)c2ccnc(-n3ccnc3)c2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The InChIKey is GUDODANBMBIMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-10-13-1-3-14(4-2-13)11-23-17(22)15-5-6-20-16(9-15)21-8-7-19-12-21/h1-9,12H,11H2.
What are the key properties of (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
(4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 75524577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).