ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate

C19H24N2O2 — CID 70278098

IUPACethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn([C@@H]2CCCC[C@H]2C)c1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-23-19(22)17-18(15-10-5-4-6-11-15)21(13-20-17)16-12-8-7-9-14(16)2/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3/t14-,16-/m1/s1
InChIKeyQCRIATOQDPZSOJ-GDBMZVCRSA-N
MW312.41 g/mol
LogP4.48
Rot. Bonds4

About ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate

ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate (PubChem CID 70278098) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
PubChem CID70278098
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nameethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1ncn([C@@H]2CCCC[C@H]2C)c1-c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-3-23-19(22)17-18(15-10-5-4-6-11-15)21(13-20-17)16-12-8-7-9-14(16)2/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3/t14-,16-/m1/s1
InChIKeyQCRIATOQDPZSOJ-GDBMZVCRSA-N
XLogP4.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate (CID 70278098) is ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate is CCOC(=O)c1ncn([C@@H]2CCCC[C@H]2C)c1-c1ccccc1.
What is the InChIKey of ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate?
The InChIKey is QCRIATOQDPZSOJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-23-19(22)17-18(15-10-5-4-6-11-15)21(13-20-17)16-12-8-7-9-14(16)2/h4-6,10-11,13-14,16H,3,7-9,12H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate?
ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1R,2R)-2-methylcyclohexyl]-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 70278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).