2-phenylethyl imidazole-1-carboxylate

C12H12N2O2 — CID 15371420

IUPAC2-phenylethyl imidazole-1-carboxylate
SMILESO=C(OCCc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeySCWXHPMRUNVMPK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.11
Rot. Bonds3

About 2-phenylethyl imidazole-1-carboxylate

2-phenylethyl imidazole-1-carboxylate (PubChem CID 15371420) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-phenylethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-phenylethyl imidazole-1-carboxylate
PubChem CID15371420
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-phenylethyl imidazole-1-carboxylate
SMILESO=C(OCCc1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeySCWXHPMRUNVMPK-UHFFFAOYSA-N
XLogP2.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
CID 143792756
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
butyl imidazole-1-carboxylate
CID 12840941
2-amino-1-imidazol-1-yl-3-phenylpropan-1-one
CID 110463444
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607
[(2R)-4-phenylmethoxybutan-2-yl] imidazole-1-carboxylate
CID 177444767
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
2-phenylethyl 2-aminoprop-2-enoate
CID 19357551
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
CID 146209608
N'-(3-phenylpropyl)imidazole-1-carboximidamide
CID 11128056

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl imidazole-1-carboxylate?
The IUPAC name of 2-phenylethyl imidazole-1-carboxylate (CID 15371420) is 2-phenylethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-phenylethyl imidazole-1-carboxylate?
The canonical SMILES for 2-phenylethyl imidazole-1-carboxylate is O=C(OCCc1ccccc1)n1ccnc1.
What is the InChIKey of 2-phenylethyl imidazole-1-carboxylate?
The InChIKey is SCWXHPMRUNVMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-12(14-8-7-13-10-14)16-9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 2-phenylethyl imidazole-1-carboxylate?
2-phenylethyl imidazole-1-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl imidazole-1-carboxylate is sourced from PubChem (CID 15371420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).