[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate

C23H27N3O3 — CID 175256655

IUPAC[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(Cc1ccc(OCc2ccccc2)cc1)c1ncc[nH]1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)26-22(27)29-20(21-24-13-14-25-21)15-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyHLUCEXVRBFIIMT-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.80
Rot. Bonds7

About [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate

[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate (PubChem CID 175256655) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate
PubChem CID175256655
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC(Cc1ccc(OCc2ccccc2)cc1)c1ncc[nH]1
InChIInChI=1S/C23H27N3O3/c1-23(2,3)26-22(27)29-20(21-24-13-14-25-21)15-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyHLUCEXVRBFIIMT-UHFFFAOYSA-N
XLogP4.80
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-(1H-imidazol-2-yl)-2-phenylethyl]carbamate
CID 76693816
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 15517726
tert-butyl N-[1-bromo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 19261588
N-tert-butyl-2-[(4-tert-butylphenyl)methylamino]-3-(4-phenylmethoxyphenyl)propanamide
CID 18352019
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
tert-butyl N-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]carbamate
CID 77225957
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
tert-butyl N-[(2R)-3,4-dihydroxy-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 51357391
[2-(3-butoxyphenyl)-1-phenylethyl] N-tert-butylcarbamate
CID 90837763
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate?
The IUPAC name of [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate (CID 175256655) is [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC(Cc1ccc(OCc2ccccc2)cc1)c1ncc[nH]1.
What is the InChIKey of [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate?
The InChIKey is HLUCEXVRBFIIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-23(2,3)26-22(27)29-20(21-24-13-14-25-21)15-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate?
[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate has a molecular weight of 393.49 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 175256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).