cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate

C22H23N3O2 — CID 14305256

IUPACcyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1cncn1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O2/c26-22(27-18-11-5-2-6-12-18)20-15-23-16-25(20)21(17-9-3-1-4-10-17)19-13-7-8-14-24-19/h1,3-4,7-10,13-16,18,21H,2,5-6,11-12H2
InChIKeyXYBSZDLAAVUSQS-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.41
Rot. Bonds5

About cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate

cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate (PubChem CID 14305256) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate
PubChem CID14305256
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Namecyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate
SMILESO=C(OC1CCCCC1)c1cncn1C(c1ccccc1)c1ccccn1
InChIInChI=1S/C22H23N3O2/c26-22(27-18-11-5-2-6-12-18)20-15-23-16-25(20)21(17-9-3-1-4-10-17)19-13-7-8-14-24-19/h1,3-4,7-10,13-16,18,21H,2,5-6,11-12H2
InChIKeyXYBSZDLAAVUSQS-UHFFFAOYSA-N
XLogP4.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate?
The IUPAC name of cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate (CID 14305256) is cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate.
What is the SMILES notation for cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate?
The canonical SMILES for cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate is O=C(OC1CCCCC1)c1cncn1C(c1ccccc1)c1ccccn1.
What is the InChIKey of cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate?
The InChIKey is XYBSZDLAAVUSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(27-18-11-5-2-6-12-18)20-15-23-16-25(20)21(17-9-3-1-4-10-17)19-13-7-8-14-24-19/h1,3-4,7-10,13-16,18,21H,2,5-6,11-12H2.
What are the key properties of cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate?
cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-[phenyl(pyridin-2-yl)methyl]imidazole-4-carboxylate is sourced from PubChem (CID 14305256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).