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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Related Compounds

(3R,4R)-3-(4-ethoxycarbonyl-5-phenylimidazol-1-yl)-4-hydroxypiperidine-1-carboxylic acid
CID 68665205
ethyl 1-(4-hydroxypiperidin-3-yl)-5-phenylimidazole-4-carboxylate;hydrochloride
CID 68664082
methyl 1-[(1S,2S)-2-hydroxycyclopentyl]-5-phenylimidazole-4-carboxylate
CID 68989004
ethyl 1-[(4-hydroxyoxan-4-yl)methyl]-5-phenylimidazole-4-carboxylate
CID 59324668
ethyl 1-methyl-5-(4-methylphenyl)imidazole-4-carboxylate
CID 14735438
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
ethyl 1-[(1S)-2-ethyl-2-hydroxy-1-phenylbutyl]-5-phenylimidazole-4-carboxylate
CID 59324725
ethyl 1-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]-5-phenylimidazole-4-carboxylate
CID 59325036
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 5-amino-1-(2-cyclohexyloxyethyl)imidazole-4-carboxylate
CID 63827252
ethyl 4-cyclopropyl-1-phenylpyrazole-3-carboxylate
CID 22267745
1-(2-methylidenecyclohexyl)-5-phenylimidazole-4-carboxylic acid
CID 89177505

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).