[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate

C15H18N2O3 — CID 142237820

IUPAC[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate
SMILESCOC[C@@H](Cn1ccnc1)OC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-12-3-5-13(6-4-12)15(18)20-14(10-19-2)9-17-8-7-16-11-17/h3-8,11,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFHYJCOLSNCBSOO-CQSZACIVSA-N
MW274.32 g/mol
LogP2.06
Rot. Bonds6

About [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate

[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate (PubChem CID 142237820) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate
PubChem CID142237820
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate
SMILESCOC[C@@H](Cn1ccnc1)OC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O3/c1-12-3-5-13(6-4-12)15(18)20-14(10-19-2)9-17-8-7-16-11-17/h3-8,11,14H,9-10H2,1-2H3/t14-/m1/s1
InChIKeyFHYJCOLSNCBSOO-CQSZACIVSA-N
XLogP2.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
(1-imidazol-1-yl-3-phenoxypropan-2-yl) 3-methoxybenzoate
CID 85078508
[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
CID 10221967
[1-(4-cyanophenoxy)-3-imidazol-1-ylpropan-2-yl] 4-iodobenzoate
CID 10183864
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
1-[2,2-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-4-(methoxymethyl)benzamide
CID 95050216
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
2-methylpropyl (2S)-3-imidazol-1-yl-2-[[4-(2-methylphenyl)benzoyl]amino]propanoate
CID 134154971
[(2R)-1-imidazol-1-ylpropan-2-yl] acetate
CID 124636711

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate?
The IUPAC name of [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate (CID 142237820) is [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate.
What is the SMILES notation for [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate?
The canonical SMILES for [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate is COC[C@@H](Cn1ccnc1)OC(=O)c1ccc(C)cc1.
What is the InChIKey of [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate?
The InChIKey is FHYJCOLSNCBSOO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-12-3-5-13(6-4-12)15(18)20-14(10-19-2)9-17-8-7-16-11-17/h3-8,11,14H,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate?
[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate has a molecular weight of 274.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate is sourced from PubChem (CID 142237820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).