benzyl 1-cyclohexylimidazole-4-carboxylate

C17H20N2O2 — CID 141021644

IUPACbenzyl 1-cyclohexylimidazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C17H20N2O2/c20-17(21-12-14-7-3-1-4-8-14)16-11-19(13-18-16)15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2
InChIKeyYMQWGNSJRFHLAJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds4

About benzyl 1-cyclohexylimidazole-4-carboxylate

benzyl 1-cyclohexylimidazole-4-carboxylate (PubChem CID 141021644) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is benzyl 1-cyclohexylimidazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-cyclohexylimidazole-4-carboxylate
PubChem CID141021644
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namebenzyl 1-cyclohexylimidazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cn(C2CCCCC2)cn1
InChIInChI=1S/C17H20N2O2/c20-17(21-12-14-7-3-1-4-8-14)16-11-19(13-18-16)15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2
InChIKeyYMQWGNSJRFHLAJ-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-cyclohexylimidazole-4-carboxylate?
The IUPAC name of benzyl 1-cyclohexylimidazole-4-carboxylate (CID 141021644) is benzyl 1-cyclohexylimidazole-4-carboxylate.
What is the SMILES notation for benzyl 1-cyclohexylimidazole-4-carboxylate?
The canonical SMILES for benzyl 1-cyclohexylimidazole-4-carboxylate is O=C(OCc1ccccc1)c1cn(C2CCCCC2)cn1.
What is the InChIKey of benzyl 1-cyclohexylimidazole-4-carboxylate?
The InChIKey is YMQWGNSJRFHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21-12-14-7-3-1-4-8-14)16-11-19(13-18-16)15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15H,2,5-6,9-10,12H2.
What are the key properties of benzyl 1-cyclohexylimidazole-4-carboxylate?
benzyl 1-cyclohexylimidazole-4-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-cyclohexylimidazole-4-carboxylate is sourced from PubChem (CID 141021644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).