(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate

C19H18N2O3 — CID 2827447

IUPAC(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
SMILESO=C(OC(COc1ccccc1)Cn1ccnc1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(16-7-3-1-4-8-16)24-18(13-21-12-11-20-15-21)14-23-17-9-5-2-6-10-17/h1-12,15,18H,13-14H2
InChIKeySJCCMELPLHYEQU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.19
Rot. Bonds7

About (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate

(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate (PubChem CID 2827447) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate.

Molecular Properties

Compound Name(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
PubChem CID2827447
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
SMILESO=C(OC(COc1ccccc1)Cn1ccnc1)c1ccccc1
InChIInChI=1S/C19H18N2O3/c22-19(16-7-3-1-4-8-16)24-18(13-21-12-11-20-15-21)14-23-17-9-5-2-6-10-17/h1-12,15,18H,13-14H2
InChIKeySJCCMELPLHYEQU-UHFFFAOYSA-N
XLogP3.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
[(2R)-1-imidazol-1-yl-3-methoxypropan-2-yl] 4-methylbenzoate
CID 142237820
(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate
CID 164609534
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
1-imidazol-1-yl-3-phenoxypropan-2-one
CID 135386430
[2-(1-imidazol-1-ylpropan-2-yl)phenyl] benzoate
CID 101092961
1-phenoxypropan-2-yl benzoate
CID 59854364
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935

Frequently Asked Questions

What is the IUPAC name of (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate?
The IUPAC name of (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate (CID 2827447) is (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate.
What is the SMILES notation for (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate?
The canonical SMILES for (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate is O=C(OC(COc1ccccc1)Cn1ccnc1)c1ccccc1.
What is the InChIKey of (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate?
The InChIKey is SJCCMELPLHYEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-19(16-7-3-1-4-8-16)24-18(13-21-12-11-20-15-21)14-23-17-9-5-2-6-10-17/h1-12,15,18H,13-14H2.
What are the key properties of (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate?
(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate has a molecular weight of 322.36 g/mol, XLogP of 3.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate is sourced from PubChem (CID 2827447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).