(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate

C21H23N3O2 — CID 57379490

IUPAC(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC(Cn2ccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(2)17-8-10-19(11-9-17)23-21(25)26-20(14-24-13-12-22-15-24)18-6-4-3-5-7-18/h3-13,15-16,20H,14H2,1-2H3,(H,23,25)
InChIKeyUAMLLUSTMNUUQK-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.00
Rot. Bonds6

About (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate

(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate (PubChem CID 57379490) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate
PubChem CID57379490
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OC(Cn2ccnc2)c2ccccc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(2)17-8-10-19(11-9-17)23-21(25)26-20(14-24-13-12-22-15-24)18-6-4-3-5-7-18/h3-13,15-16,20H,14H2,1-2H3,(H,23,25)
InChIKeyUAMLLUSTMNUUQK-UHFFFAOYSA-N
XLogP5.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 71816500
CID 71816500
CID 76871876
CID 76871876
CID 23368213
CID 23368213
CID 57379744
CID 57379744
CID 57379745
CID 57379745
CID 73354949
CID 73354949
CID 90682603
CID 90682603
CID 118708810
CID 118708810
CID 164610409
CID 164610409
CID 44265144
CID 44265144
CID 44586764
CID 44586764
CID 492021
CID 492021

Frequently Asked Questions

What is the IUPAC name of (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate (CID 57379490) is (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OC(Cn2ccnc2)c2ccccc2)cc1.
What is the InChIKey of (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is UAMLLUSTMNUUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(2)17-8-10-19(11-9-17)23-21(25)26-20(14-24-13-12-22-15-24)18-6-4-3-5-7-18/h3-13,15-16,20H,14H2,1-2H3,(H,23,25).
What are the key properties of (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate?
(2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 349.43 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-imidazol-1-yl-1-phenylethyl) N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 57379490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).