benzyl 2-propylimidazole-1-carboxylate

C14H16N2O2 — CID 67949202

IUPACbenzyl 2-propylimidazole-1-carboxylate
SMILESCCCc1nccn1C(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-6-13-15-9-10-16(13)14(17)18-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3
InChIKeyLWDNWTLOYJGLDB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.02
Rot. Bonds4

About benzyl 2-propylimidazole-1-carboxylate

benzyl 2-propylimidazole-1-carboxylate (PubChem CID 67949202) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl 2-propylimidazole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-propylimidazole-1-carboxylate
PubChem CID67949202
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzyl 2-propylimidazole-1-carboxylate
SMILESCCCc1nccn1C(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-2-6-13-15-9-10-16(13)14(17)18-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3
InChIKeyLWDNWTLOYJGLDB-UHFFFAOYSA-N
XLogP3.02
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl 2-methyl-4-(4-methylphenyl)pyrrole-1-carboxylate
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CID 90561830
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-(ethylamino)-2,2-dipyridin-2-ylacetate
CID 54036342
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2-methylsulfanylacetate
CID 89146896
2-butyl-1-(2-phenylmethoxyethyl)imidazole
CID 174504062

Frequently Asked Questions

What is the IUPAC name of benzyl 2-propylimidazole-1-carboxylate?
The IUPAC name of benzyl 2-propylimidazole-1-carboxylate (CID 67949202) is benzyl 2-propylimidazole-1-carboxylate.
What is the SMILES notation for benzyl 2-propylimidazole-1-carboxylate?
The canonical SMILES for benzyl 2-propylimidazole-1-carboxylate is CCCc1nccn1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-propylimidazole-1-carboxylate?
The InChIKey is LWDNWTLOYJGLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-6-13-15-9-10-16(13)14(17)18-11-12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3.
What are the key properties of benzyl 2-propylimidazole-1-carboxylate?
benzyl 2-propylimidazole-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-propylimidazole-1-carboxylate is sourced from PubChem (CID 67949202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).